Benzenoids
Pentafluorophenyl 6-(tetrahydropyran-4-yloxy)nicotinate, 97%, Thermo Scientific™
CAS: 910036-96-3 Molecular Formula: C17H12F5NO4 Molecular Weight (g/mol): 389.28 MDL Number: MFCD09702389 InChI Key: DOADFHHFWSVLLM-UHFFFAOYSA-N Synonym: pentafluorophenyl 6-tetrahydropyran-4-yloxy nicotinate,2,3,4,5,6-pentafluorophenyl 6-oxan-4-yloxy pyridine-3-carboxylate,pentafluorophenyl 6-oxan-4-yloxy pyridine-3-carboxylate,pentafluorophenyl 6-oxan-4-yl oxy pyridine-3-carboxylate,2,3,4,5,6-pentakis fluoranyl phenyl 6-oxan-4-yloxy pyridine-3-carboxylate,6-4-oxanyloxy-3-pyridinecarboxylic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229582 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 6-(oxan-4-yloxy)pyridine-3-carboxylate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CN=C(OC3CCOCC3)C=C2)C(F)=C1F
2-Bromomesitylene, 99%
CAS: 576-83-0 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00000073 InChI Key: RRTLQRYOJOSPEA-UHFFFAOYSA-N Synonym: 2-bromomesitylene,2,4,6-trimethylbromobenzene,mesityl bromide,bromomesitylene,benzene, 2-bromo-1,3,5-trimethyl,2,4,6-trimethybromombenzene,mesitylene, 2-bromo,2,4,6-trimethylphenyl bromide,1-bromo-2,4,6-trimethylbenzene,2-bromo-1,3,5-trimethyl-benzene PubChem CID: 68473 IUPAC Name: 2-bromo-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)Br)C
N-Methylanthranilic acid, 90+%
CAS: 119-68-6 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00002424 InChI Key: WVMBPWMAQDVZCM-UHFFFAOYSA-N Synonym: n-methylanthranilic acid,2-methylamino benzoic acid,n-methyl-2-aminobenzoic acid,n-methyl-o-aminobenzoic acid,benzoic acid, 2-methylamino,o-methylamino benzoic acid,anthranilic acid, n-methyl,2-methylamino-benzoic acid,kyselina n-methylanthranilova,unii-vpb2514iuj PubChem CID: 67069 ChEBI: CHEBI:16394 IUPAC Name: 2-(methylamino)benzoic acid SMILES: CNC1=CC=CC=C1C(=O)O
Ethyl 2-iodobenzoate, 98%
CAS: 1829-28-3 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.07 MDL Number: MFCD00051796 InChI Key: QOUFDDUDXYJWHV-UHFFFAOYSA-N Synonym: 2-iodobenzoic acid ethyl ester,rarechem al bi 0562,ethyl iodobenzoate,ethyl-2-iodobenzoate,ethyl 2-iodanylbenzoate,acmc-1ag98,2-ethoxycarbonyl iodobenzene,benzoic acid, 2-iodo-,ethyl ester,benzoic acid, 2-iodo-, ethyl ester PubChem CID: 2829347 IUPAC Name: ethyl 2-iodobenzoate SMILES: CCOC(=O)C1=CC=CC=C1I
7-Bromo-1-tetralone, 97%
CAS: 32281-97-3 Molecular Formula: C10H9BrO Molecular Weight (g/mol): 225.085 MDL Number: MFCD02179287 InChI Key: YGVDCGFUUUJCDF-UHFFFAOYSA-N Synonym: 7-bromo-1-tetralone,7-bromo-3,4-dihydronaphthalen-1 2h-one,7-bromo-3,4-dihydro-1 2h-naphthalenone,7-bromotetralone,7-bromo-alpha-tetralone,7-bromotetralin-1-one,7-bromo-1,2,3,4-tetrahydronaphthalen-1-one,7-bromo-2,3,4-trihydronaphthalen-1-one,1 2h-naphthalenone, 7-bromo-3,4-dihydro,7-bromo tetralone PubChem CID: 252731 IUPAC Name: 7-bromo-3,4-dihydro-2H-naphthalen-1-one SMILES: C1CC2=C(C=C(C=C2)Br)C(=O)C1
4-Chlorobenzoic acid, 98+%
CAS: 74-11-3 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00002531 InChI Key: XRHGYUZYPHTUJZ-UHFFFAOYSA-N Synonym: p-chlorobenzoic acid,benzoic acid, 4-chloro,p-chlorbenzoic acid,chlorodracylic acid,benzoic acid, p-chloro,para-chlorobenzoic acid,4-chloro-benzoic acid,p-carboxychlorobenzene,acido p-clorobenzoico,acido p-clorobenzoico italian PubChem CID: 6318 ChEBI: CHEBI:30747 IUPAC Name: 4-chlorobenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)Cl
4-Bromo-3-methoxyaniline, 97+%
CAS: 19056-40-7 Molecular Formula: C7H8BrNO Molecular Weight (g/mol): 202.05 MDL Number: MFCD05664063 InChI Key: RUTNWXBHRAIQSP-UHFFFAOYSA-N Synonym: 5-amino-2-bromoanisole,4-bromo-m-anisidine,4-bromo-3-methoxy-phenylamine,4-bromo-3-methoxy-aniline,3-methoxy-4-bromoaniline,4-bromo-3-methoxy aniline,4-bromo-3-methoxyphenylamine,benzenamine, 4-bromo-3-methoxy,4-bromo-3-methoxybenzenamine,pubchem3794 PubChem CID: 7018254 IUPAC Name: 4-bromo-3-methoxyaniline SMILES: COC1=C(Br)C=CC(N)=C1
4-Chloro-3,5-dinitrobenzoic acid, 97%
CAS: 118-97-8 Molecular Formula: C7H3ClN2O6 Molecular Weight (g/mol): 246.559 MDL Number: MFCD00007080 InChI Key: PCTFIHOVQYYAMH-UHFFFAOYSA-N Synonym: 4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176 PubChem CID: 8377 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O
4-Ethoxybenzoic acid, 98+%
CAS: 619-86-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002545 InChI Key: SHSGDXCJYVZFTP-UHFFFAOYSA-N Synonym: p-ethoxybenzoic acid,benzoic acid, 4-ethoxy,benzoic acid, p-ethoxy,4-ethoxy-benzoic acid,unii-tzr23xeq7w,tzr23xeq7w,4-ethoxybenzoicacid,4ethoxybenzoic acid,pubchem2686,para-ethoxybenzoic acid PubChem CID: 12093 IUPAC Name: 4-ethoxybenzoic acid SMILES: CCOC1=CC=C(C=C1)C(=O)O
4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 97%
CAS: 327-78-6 Molecular Formula: C8H3ClF3NO Molecular Weight (g/mol): 221.563 MDL Number: MFCD00013874 InChI Key: NBJZEUQTGLSUOB-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisocyanate,benzene, 1-chloro-4-isocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethylphenyl isocyanate,4-chloro-3-trifluoromethoxy phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl-benzene,4-chloro-3-trifluoromethyl benzenisocyanate,3-trifluoromethyl-4-chloro-phenyl isocyanate,pubchem5027 PubChem CID: 2733265 IUPAC Name: 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl
1-Bromo-2-chloro-4-fluorobenzene, 98%, Thermo Scientific Chemicals
CAS: 110407-59-5 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.442 MDL Number: MFCD00142587 InChI Key: LEFQPBAWVJEIJS-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobromobenzene,4-bromo-3-chloro-1-fluorobenzene,1-bromo-2-chloro-4-fluoro-benzene,4-bromo-3-chlorofluorobenzene,2-bromo-5-fluorochlorobenzene,benzene, 1-bromo-2-chloro-4-fluoro,pubchem3755,acmc-1bnv0,2-chloro-4-fluorobromobezene,ksc494m7f PubChem CID: 2733406 IUPAC Name: 1-bromo-2-chloro-4-fluorobenzene SMILES: C1=CC(=C(C=C1F)Cl)Br
Methyl 4-iodo-2-methoxybenzoate, 98+%
CAS: 148490-97-5 Molecular Formula: C9H9IO3 Molecular Weight (g/mol): 292.072 MDL Number: MFCD06797865 InChI Key: MCNOTXROWOGSGU-UHFFFAOYSA-N Synonym: benzoic acid,4-iodo-2-methoxy-, methyl ester,4-iodo-2-methoxybenzoic acid methyl ester,4-iodo-2-methoxy-benzoic acid methyl ester,pubchem4974,acmc-20adk9,methyl4-iodo-2-methoxybenzoate,methyl-4-iodo-2-methoxybenzoate,2-methoxy-4-iodo-benzoic acid methyl ester PubChem CID: 22619468 IUPAC Name: methyl 4-iodo-2-methoxybenzoate SMILES: COC1=C(C=CC(=C1)I)C(=O)OC
2-Cyano-4-(trifluoromethyl)benzeneboronic acid, 95%
CAS: 1218790-84-1 Molecular Formula: C8H5BF3NO2 Molecular Weight (g/mol): 214.938 InChI Key: DELAZGQTKSRLPA-UHFFFAOYSA-N Synonym: 2-cyano-4-trifluoromethyl phenylboronic acid,2-cyano-4-trifluoromethyl phenyl boronic acid,acmc-209ail,2-cyano-4-trifluoromethyl phenyl boronicacid PubChem CID: 53216599 IUPAC Name: [2-cyano-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)C#N)(O)O
2-Fluoro-4-hydroxybenzoic acid, 98%, Thermo Scientific™
CAS: 65145-13-3 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.11 MDL Number: MFCD01310985 InChI Key: NXWTWYULZRDBSA-UHFFFAOYSA-N Synonym: 2-fluoro-4-hydroxy-benzoic acid,benzoic acid, 2-fluoro-4-hydroxy,pubchem2608,acmc-1b9jp,4-hydroxyfluorobenzoic acid,frinton fr-2445,ksc352q5p,2-fluoro-4-hydroxybenzoicacid,4-hydroxy-2-fluorobenzoic acid,2-fluoro4-hydroxy-benzoic acid PubChem CID: 2783398 IUPAC Name: 2-fluoro-4-hydroxybenzoic acid SMILES: OC(=O)C1=C(F)C=C(O)C=C1
2,4,5-Trimethoxybenzaldehyde, 98%
CAS: 4460-86-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00003312 InChI Key: IAJBQAYHSQIQRE-UHFFFAOYSA-N Synonym: asaraldehyde,asaronaldehyde,asarylaldehyde,azarylaldehyde,benzaldehyde, 2,4,5-trimethoxy,gazarin,3,4,6-trimethoxybenzaldehyde,unii-ndu8j2q00d,2,4,5-trimethoxy-benzaldehyde,ccris 1296 PubChem CID: 20525 IUPAC Name: 2,4,5-trimethoxybenzaldehyde SMILES: COC1=CC(OC)=C(C=O)C=C1OC