AG00CHWI

42797-18-2 | o-(4-Biphenylylcarbonyl)benzoic acid

AG00CHWI

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CAS Number	42797-18-2
Catalog Number	AG00CHWI(AGN-PC-0WAEPW)
Chemical Name	o-(4-Biphenylylcarbonyl)benzoic acid
IUPAC Name	2-(4-phenylbenzoyl)benzoic acid
InChI	InChI=1S/C20H14O3/c21-19(17-8-4-5-9-18(17)20(22)23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,(H,22,23)
InChI Key	NBYNVBRXIUUSIG-UHFFFAOYSA-N
MDL Number	MFCD00392368
Molecular Formula	C20H14O3
Molecular Weight	302.3234
NSC Number	75270
SMILES	OC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C=C1)C1=CC=CC=C1
Synonyms	o-(4-Biphenylylcarbonyl)benzoic acid, 42797-18-2, 2-(4-BIPHENYLYLCARBONYL)BENZOIC ACID, o-(4-Phenylbenzoyl)benzoic acid, NSC 75270, BENZOIC ACID, o-(4-BIPHENYLYLCARBONYL)-, BRN 2658548, AI3-17641, CHEMBL1333982, 2-(4-phenylbenzoyl)benzoic acid, 2-([1,1'-biphenyl]-4-carbonyl)benzoic acid, NSC-75270, AK-49792, 2-(1,1'-biphenyl-4-ylcarbonyl)benzoic acid, 2-(BIPHENYL-4-CARBONYL)-BENZOIC ACID, Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-, NSC75270, PubChem21856, ChemDiv3_000002, EC 700-862-4, AC1L21GG, Oprea1_578886, 3-10-00-03455 (Beilstein Handbook Reference), MLS001195075, SCHEMBL1402398, CTK7F8725, DTXSID90195479, 2-(4'-phenylbenzoyl)benzoic acid, HMS1473A02, HMS2875F21, ZINC225919, ACT08713, KS-00000OQ0, 5905AB, ANW-59531, BDBM50388537, MFCD00392368, SBB038583, AKOS000266829, CCG-103170, MCULE-5821530654, RL03653, VZ23249, ACM42797182, IDI1_019320, NCGC00177414-01, 2-[(4-phenylphenyl)carbonyl]benzoic acid, AC-22328, AJ-18060, DS-15154, LS-36139, SMR000554442, Benzoic acid,1'-biphenyl]-4-ylcarbonyl)-, AX8212461, DB-024838, TX-010020, 4CH-010427, B4532, EU-0066831, FT-0750874, o-(1,1'-Biphenyl-4-ylcarbonyl)benzoic acid, ST24025697, A26225, SR-01000389381, J-523799, SR-01000389381-1, BRD-K85357067-001-01-5, o- benzoicacid, C20H14O3, CID39302, ACN-049643, C20-H14-O3, C3195, Benzoic acid, 2-([1,1'-biphenyl]-4-ylcarbonyl)-,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.094g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	302.329g/mol
Monoisotopic Mass	302.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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