Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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7,366 – 7,380 of 159,115 results

7,366

1-Hydroxy-2-naphthaldehyde 98.0+%, TCI America™

CAS: 574-96-9 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.183 MDL Number: MFCD00092325 InChI Key: OITQDWKMIPXGFL-UHFFFAOYSA-N Synonym: 1-Naphthol-2-carboxaldehyde PubChem CID: 443195 ChEBI: CHEBI:28091 IUPAC Name: 1-hydroxynaphthalene-2-carbaldehyde SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C=O

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Specifications

PubChem CID	443195
CAS	574-96-9
Molecular Weight (g/mol)	172.183
ChEBI	CHEBI:28091
MDL Number	MFCD00092325
SMILES	C1=CC=C2C(=C1)C=CC(=C2O)C=O
Synonym	1-Naphthol-2-carboxaldehyde
IUPAC Name	1-hydroxynaphthalene-2-carbaldehyde
InChI Key	OITQDWKMIPXGFL-UHFFFAOYSA-N
Molecular Formula	C11H8O2

7,367

3-Bromo-5-chlorobenzaldehyde 98.0+%, TCI America™

CAS: 188813-05-0 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD06797226 InChI Key: JGMGDYUVFBBCEQ-UHFFFAOYSA-N PubChem CID: 17750952 IUPAC Name: 3-bromo-5-chlorobenzaldehyde SMILES: C1=C(C=C(C=C1Cl)Br)C=O

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Specifications

PubChem CID	17750952
CAS	188813-05-0
Molecular Weight (g/mol)	219.462
MDL Number	MFCD06797226
SMILES	C1=C(C=C(C=C1Cl)Br)C=O
IUPAC Name	3-bromo-5-chlorobenzaldehyde
InChI Key	JGMGDYUVFBBCEQ-UHFFFAOYSA-N
Molecular Formula	C7H4BrClO

7,368

Hydrazobenzene 98.0+%, TCI America™

CAS: 122-66-7 Molecular Formula: C12H12N2 Molecular Weight (g/mol): 184.242 MDL Number: MFCD00003012 InChI Key: YBQZXXMEJHZYMB-UHFFFAOYSA-N Synonym: hydrazobenzene,1,2-diphenyldiazane,hydrazine, 1,2-diphenyl,n,n'-bianiline,n,n'-diphenylhydrazine,hydrazobenzen,benzene, hydrazodi,sym-diphenylhydrazine,rcra waste number u109,hydrazine, diphenyl PubChem CID: 31222 IUPAC Name: 1,2-diphenylhydrazine SMILES: C1=CC=C(C=C1)NNC2=CC=CC=C2

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Specifications

PubChem CID	31222
CAS	122-66-7
Molecular Weight (g/mol)	184.242
MDL Number	MFCD00003012
SMILES	C1=CC=C(C=C1)NNC2=CC=CC=C2
Synonym	hydrazobenzene,1,2-diphenyldiazane,hydrazine, 1,2-diphenyl,n,n'-bianiline,n,n'-diphenylhydrazine,hydrazobenzen,benzene, hydrazodi,sym-diphenylhydrazine,rcra waste number u109,hydrazine, diphenyl
IUPAC Name	1,2-diphenylhydrazine
InChI Key	YBQZXXMEJHZYMB-UHFFFAOYSA-N
Molecular Formula	C12H12N2

7,369

1-Heptyloxy-4-nitrobenzene, TCI America™

CAS: 13565-36-1 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD00024692 InChI Key: AVDKYVSWJDZALX-UHFFFAOYSA-N Synonym: Heptyl 4-Nitrophenyl Ether PubChem CID: 139499 IUPAC Name: 1-heptoxy-4-nitrobenzene SMILES: CCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

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Specifications

PubChem CID	139499
CAS	13565-36-1
Molecular Weight (g/mol)	237.299
MDL Number	MFCD00024692
SMILES	CCCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]
Synonym	Heptyl 4-Nitrophenyl Ether
IUPAC Name	1-heptoxy-4-nitrobenzene
InChI Key	AVDKYVSWJDZALX-UHFFFAOYSA-N
Molecular Formula	C13H19NO3

7,370

Heptyltriphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 13423-48-8 Molecular Formula: C25H30BrP Molecular Weight (g/mol): 441.39 MDL Number: MFCD00050249 InChI Key: WCZSOHSGMBVYFW-UHFFFAOYSA-M Synonym: heptyltriphenylphosphonium bromide,n-heptyltriphenylphosphonium bromide,heptyltriphenylphosphanium bromide,heptyl triphenyl phosphanium bromide,heptyl triphenyl phosphonium bromide,n-heptyl-triphenylphosphonium bromide,1-heptyl triphenylphosphonium bromide,phosphonium, heptyltriphenyl-, bromide,c7h15pph3br;,acmc-209bu9 PubChem CID: 2724567 IUPAC Name: heptyltriphenylphosphanium bromide SMILES: [Br-].CCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	2724567
CAS	13423-48-8
Molecular Weight (g/mol)	441.39
MDL Number	MFCD00050249
SMILES	[Br-].CCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	heptyltriphenylphosphonium bromide,n-heptyltriphenylphosphonium bromide,heptyltriphenylphosphanium bromide,heptyl triphenyl phosphanium bromide,heptyl triphenyl phosphonium bromide,n-heptyl-triphenylphosphonium bromide,1-heptyl triphenylphosphonium bromide,phosphonium, heptyltriphenyl-, bromide,c7h15pph3br;,acmc-209bu9
IUPAC Name	heptyltriphenylphosphanium bromide
InChI Key	WCZSOHSGMBVYFW-UHFFFAOYSA-M
Molecular Formula	C25H30BrP

7,371

DL-4-Hydroxymandelic Acid Monohydrate 98.0+%, TCI America™

CAS: 184901-84-6 Molecular Formula: C8H10O5 Molecular Weight (g/mol): 186.163 MDL Number: MFCD00149283 InChI Key: ATPBHLAWGXOMOR-UHFFFAOYSA-N Synonym: 2-hydroxy-2-4-hydroxyphenyl acetic acid hydrate,4-hydroxymandelic acid monohydrate,dl-4-hydroxymandelic acid monohydrate,4-hydroxymandelic acid hydrate,3-hydroxymandelic acid monohydrate,hydroxy 4-hydroxyphenyl acetic acid-water 1/1,hydroxy-4-hydroxy-phenyl-acetic acid monohydrate,benzeneacetic acid, a,4-dihydroxy-, hydrate 1:1 PubChem CID: 12677290 IUPAC Name: 2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate SMILES: C1=CC(=CC=C1C(C(=O)O)O)O.O

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Specifications

PubChem CID	12677290
CAS	184901-84-6
Molecular Weight (g/mol)	186.163
MDL Number	MFCD00149283
SMILES	C1=CC(=CC=C1C(C(=O)O)O)O.O
Synonym	2-hydroxy-2-4-hydroxyphenyl acetic acid hydrate,4-hydroxymandelic acid monohydrate,dl-4-hydroxymandelic acid monohydrate,4-hydroxymandelic acid hydrate,3-hydroxymandelic acid monohydrate,hydroxy 4-hydroxyphenyl acetic acid-water 1/1,hydroxy-4-hydroxy-phenyl-acetic acid monohydrate,benzeneacetic acid, a,4-dihydroxy-, hydrate 1:1
IUPAC Name	2-hydroxy-2-(4-hydroxyphenyl)acetic acid;hydrate
InChI Key	ATPBHLAWGXOMOR-UHFFFAOYSA-N
Molecular Formula	C8H10O5

7,372

[NH2Me2][(RuCl((S)-segphos(regR)))2(mu-Cl)3], TCI America™

CAS: 488809-34-3 Molecular Formula: C78H67Cl5NO8P4Ru2+ Molecular Weight (g/mol): 1649.678 MDL Number: MFCD09753037 InChI Key: GTKMQYLNAZIAEF-UHFFFAOYSA-M Synonym: Dimethylammonium Dichlorotri(mu-chloro)bis[(S)-(-)-5,5′C-bis(diphenylphosphino)-4,4′C-bi-1,3-benzodioxole]diruthenate(II) PubChem CID: 121233601 IUPAC Name: [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride SMILES: CNC.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl.[Cl-].[ClH+][Ru-]([ClH+])[ClH+].[Ru]

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Specifications

PubChem CID	121233601
CAS	488809-34-3
Molecular Weight (g/mol)	1649.678
MDL Number	MFCD09753037
SMILES	CNC.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.Cl.[Cl-].[ClH+][Ru-]([ClH+])[ClH+].[Ru]
Synonym	Dimethylammonium Dichlorotri(mu-chloro)bis[(S)-(-)-5,5′C-bis(diphenylphosphino)-4,4′C-bi-1,3-benzodioxole]diruthenate(II)
IUPAC Name	[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;N-methylmethanamine;ruthenium;trichloronioruthenium(1-);chloride;hydrochloride
InChI Key	GTKMQYLNAZIAEF-UHFFFAOYSA-M
Molecular Formula	C78H67Cl5NO8P4Ru2+

7,373

Methyl (R)-(+)-2-(4-Hydroxyphenoxy)propionate 98.0+%, TCI America™

CAS: 96562-58-2 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00274087 InChI Key: UUYSCNGPNOYZMC-SSDOTTSWSA-N Synonym: methyl r-+-2-4-hydroxyphenoxy propanoate,methyl r-+-2-4-hydroxyphenoxy propionate,r-methyl 2-4-hydroxyphenoxy propanoate,methyl r-2-4-hydroxyphenoxy propionate,r-+-2-4-hydroxyphenoxy propionic acid methyl ester,propanoic acid, 2-4-hydroxyphenoxy-, methyl ester, 2r,methyl 2r-2-4-hydroxyphenoxy propanoate,d-mhpp,aurora ka-6234 PubChem CID: 2733752 IUPAC Name: methyl (2R)-2-(4-hydroxyphenoxy)propanoate SMILES: COC(=O)[C@@H](C)OC1=CC=C(O)C=C1

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Specifications

PubChem CID	2733752
CAS	96562-58-2
Molecular Weight (g/mol)	196.20
MDL Number	MFCD00274087
SMILES	COC(=O)[C@@H](C)OC1=CC=C(O)C=C1
Synonym	methyl r-+-2-4-hydroxyphenoxy propanoate,methyl r-+-2-4-hydroxyphenoxy propionate,r-methyl 2-4-hydroxyphenoxy propanoate,methyl r-2-4-hydroxyphenoxy propionate,r-+-2-4-hydroxyphenoxy propionic acid methyl ester,propanoic acid, 2-4-hydroxyphenoxy-, methyl ester, 2r,methyl 2r-2-4-hydroxyphenoxy propanoate,d-mhpp,aurora ka-6234
IUPAC Name	methyl (2R)-2-(4-hydroxyphenoxy)propanoate
InChI Key	UUYSCNGPNOYZMC-SSDOTTSWSA-N
Molecular Formula	C10H12O4

7,374

5-Hydroxyisoquinoline 96.0+%, TCI America™

CAS: 2439-04-5 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00006906 InChI Key: CSNXUYRHPXGSJD-UHFFFAOYSA-N Synonym: 5-hydroxyisoquinoline,5-isoquinolinol,5-hydroxy-isoquinoline,chembl57481,5-hydroxyisoquinolne,pubchem12826,acmc-2097ay,5-hydroxy-2-azanaphthalene PubChem CID: 30386 IUPAC Name: isoquinolin-5-ol SMILES: C1=CC2=C(C=CN=C2)C(=C1)O

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Specifications

PubChem CID	30386
CAS	2439-04-5
Molecular Weight (g/mol)	145.16
MDL Number	MFCD00006906
SMILES	C1=CC2=C(C=CN=C2)C(=C1)O
Synonym	5-hydroxyisoquinoline,5-isoquinolinol,5-hydroxy-isoquinoline,chembl57481,5-hydroxyisoquinolne,pubchem12826,acmc-2097ay,5-hydroxy-2-azanaphthalene
IUPAC Name	isoquinolin-5-ol
InChI Key	CSNXUYRHPXGSJD-UHFFFAOYSA-N
Molecular Formula	C9H7NO

7,375

Bis(4-bromophenyl)diphenylsilane 98.0+%, TCI America™

CAS: 18733-91-0 Molecular Formula: C24H18Br2Si Molecular Weight (g/mol): 494.301 InChI Key: UTEBJTKMYMQRIF-UHFFFAOYSA-N PubChem CID: 297512 IUPAC Name: bis(4-bromophenyl)-diphenylsilane SMILES: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br

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Specifications

PubChem CID	297512
CAS	18733-91-0
Molecular Weight (g/mol)	494.301
SMILES	C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br
IUPAC Name	bis(4-bromophenyl)-diphenylsilane
InChI Key	UTEBJTKMYMQRIF-UHFFFAOYSA-N
Molecular Formula	C24H18Br2Si

7,376

2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[9H-fluorene] 98.0+%, TCI America™

CAS: 728911-52-2 Molecular Formula: C37H38B2O4 Molecular Weight (g/mol): 568.327 InChI Key: GKPGYJFGTIZCRP-UHFFFAOYSA-N Synonym: 2,2′-(9,9′-Spirobi[9H-fluorene]-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane), (9,9′-Spirobi[9H-fluorene]-2,7-diyl)bis(boronic Acid Pinacol Ester) PubChem CID: 20769414 IUPAC Name: 4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C35C6=CC=CC=C6C7=CC=CC=C57)C=C(C=C4)B8OC(C(O8)(C)C)(C)C

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Specifications

PubChem CID	20769414
CAS	728911-52-2
Molecular Weight (g/mol)	568.327
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C35C6=CC=CC=C6C7=CC=CC=C57)C=C(C=C4)B8OC(C(O8)(C)C)(C)C
Synonym	2,2′-(9,9′-Spirobi[9H-fluorene]-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane), (9,9′-Spirobi[9H-fluorene]-2,7-diyl)bis(boronic Acid Pinacol Ester)
IUPAC Name	4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-1,3,2-dioxaborolane
InChI Key	GKPGYJFGTIZCRP-UHFFFAOYSA-N
Molecular Formula	C37H38B2O4

7,377

1,3-Di(o-tolyl)thiourea 98.0+%, TCI America™

CAS: 137-97-3 Molecular Formula: C15H16N2S Molecular Weight (g/mol): 256.37 MDL Number: MFCD00025922 InChI Key: KWPNNZKRAQDVPZ-UHFFFAOYSA-N Synonym: di-o-tolylthiourea,1,3-di o-tolyl thiourea,1,3-di-o-tolylthiourea,n,n'-di-o-tolylthiourea,1,3-di-o-tolyl-2-thiourea,di-o-toluylthiourea,1,3-bis o-tolyl thiourea,n,n'-bis 2-methylphenyl thiourea,2,2'-dimethylthiocarbanilide,usaf ek-1651 PubChem CID: 688028 IUPAC Name: 1,3-bis(2-methylphenyl)thiourea SMILES: CC1=CC=CC=C1NC(=S)NC1=CC=CC=C1C

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Specifications

PubChem CID	688028
CAS	137-97-3
Molecular Weight (g/mol)	256.37
MDL Number	MFCD00025922
SMILES	CC1=CC=CC=C1NC(=S)NC1=CC=CC=C1C
Synonym	di-o-tolylthiourea,1,3-di o-tolyl thiourea,1,3-di-o-tolylthiourea,n,n'-di-o-tolylthiourea,1,3-di-o-tolyl-2-thiourea,di-o-toluylthiourea,1,3-bis o-tolyl thiourea,n,n'-bis 2-methylphenyl thiourea,2,2'-dimethylthiocarbanilide,usaf ek-1651
IUPAC Name	1,3-bis(2-methylphenyl)thiourea
InChI Key	KWPNNZKRAQDVPZ-UHFFFAOYSA-N
Molecular Formula	C15H16N2S

7,378

4-Hydroxybenzyl Cyanide 99.0+%, TCI America™

CAS: 14191-95-8 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002383 InChI Key: AYKYOOPFBCOXSL-UHFFFAOYSA-N Synonym: 4-hydroxybenzyl cyanide,4-hydroxyphenylacetonitrile,2-4-hydroxyphenyl acetonitrile,p-hydroxybenzyl cyanide,4-hydroxyphenyl acetonitrile,p-hydroxyphenylacetonitrile,4-hydroxybenzylcyanide,4-hydroxybenzeneacetonitrile,benzeneacetonitrile, 4-hydroxy,acetonitrile, p-hydroxyphenyl PubChem CID: 26548 ChEBI: CHEBI:16667 IUPAC Name: 2-(4-hydroxyphenyl)acetonitrile SMILES: OC1=CC=C(CC#N)C=C1

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Specifications

PubChem CID	26548
CAS	14191-95-8
Molecular Weight (g/mol)	133.15
ChEBI	CHEBI:16667
MDL Number	MFCD00002383
SMILES	OC1=CC=C(CC#N)C=C1
Synonym	4-hydroxybenzyl cyanide,4-hydroxyphenylacetonitrile,2-4-hydroxyphenyl acetonitrile,p-hydroxybenzyl cyanide,4-hydroxyphenyl acetonitrile,p-hydroxyphenylacetonitrile,4-hydroxybenzylcyanide,4-hydroxybenzeneacetonitrile,benzeneacetonitrile, 4-hydroxy,acetonitrile, p-hydroxyphenyl
IUPAC Name	2-(4-hydroxyphenyl)acetonitrile
InChI Key	AYKYOOPFBCOXSL-UHFFFAOYSA-N
Molecular Formula	C8H7NO

7,379

2-Nitrobenzyl Bromide 98.0+%, TCI America™

CAS: 3958-60-9 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007184 InChI Key: HXBMIQJOSHZCFX-UHFFFAOYSA-N Synonym: 2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide PubChem CID: 77569 IUPAC Name: 1-(bromomethyl)-2-nitrobenzene SMILES: C1=CC=C(C(=C1)CBr)[N+](=O)[O-]

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Specifications

PubChem CID	77569
CAS	3958-60-9
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00007184
SMILES	C1=CC=C(C(=C1)CBr)[N+](=O)[O-]
Synonym	2-nitrobenzyl bromide,1-bromomethyl-2-nitrobenzene,o-nitrobenzyl bromide,alpha-bromo-2-nitrotoluene,2-bromomethyl nitrobenzene,1-bromomethyl-2-nitro-benzene,benzene, 1-bromomethyl-2-nitro,ccris 7966,2-nitro benzyl bromide,2-nitro-benzyl bromide
IUPAC Name	1-(bromomethyl)-2-nitrobenzene
InChI Key	HXBMIQJOSHZCFX-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

7,380

9,10-Dihydrophenanthrene 96.0+%, TCI America™

CAS: 776-35-2 Molecular Formula: C14H12 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00001164 InChI Key: XXPBFNVKTVJZKF-UHFFFAOYSA-N Synonym: phenanthrene, 9,10-dihydro,unii-brm9tu2f34,9,10-dihydro-phenanthrene,dihydrophenanthrene,brm9tu2f34,acmc-1ba4q,phenanthrene,9,10-dihydro,9,10-dihydrophenanthrene,phenanthrene, 9,10-dihydro-8ci 9ci PubChem CID: 13058 IUPAC Name: 9,10-dihydrophenanthrene SMILES: C1CC2=CC=CC=C2C3=CC=CC=C31

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Specifications

PubChem CID	13058
CAS	776-35-2
Molecular Weight (g/mol)	180.25
MDL Number	MFCD00001164
SMILES	C1CC2=CC=CC=C2C3=CC=CC=C31
Synonym	phenanthrene, 9,10-dihydro,unii-brm9tu2f34,9,10-dihydro-phenanthrene,dihydrophenanthrene,brm9tu2f34,acmc-1ba4q,phenanthrene,9,10-dihydro,9,10-dihydrophenanthrene,phenanthrene, 9,10-dihydro-8ci 9ci
IUPAC Name	9,10-dihydrophenanthrene
InChI Key	XXPBFNVKTVJZKF-UHFFFAOYSA-N
Molecular Formula	C14H12

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