AG003B29

85-54-1 | 2-(4-Chloro-3-nitrobenzoyl)benzoic acid

AG003B29

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CAS Number	85-54-1
Catalog Number	AG003B29(AGN-PC-0JL78J)
Chemical Name	2-(4-Chloro-3-nitrobenzoyl)benzoic acid
EC Number	201-613-8
IUPAC Name	2-(4-chloro-3-nitrobenzoyl)benzoic acid
InChI	InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
InChI Key	RITAQDHCJBLSSL-UHFFFAOYSA-N
MDL Number	MFCD00007082
Molecular Formula	C14H8ClNO5
Molecular Weight	305.6700
NSC Number	15366
SMILES	O=C(O)C1=CC=CC=C1C(C2=CC=C(Cl)C([N+]([O-])=O)=C2)=O
Synonyms	2-(4-Chloro-3-nitrobenzoyl)benzoic acid, 85-54-1, Benzoic acid, 2-(4-chloro-3-nitrobenzoyl)-, 3'-Nitro-4'-chlorobenzoylbenzoic acid, RITAQDHCJBLSSL-UHFFFAOYSA-N, MFCD00007082, NSC-15366, Benzoic acid, o-(4-chloro-3-nitrobenzoyl)-, 2-(4-Chloranyl-3-Nitro-Phenyl)carbonylbenzoic Acid, W-104080, 2-[(4-chloro-3-nitrophenyl)carbonyl]benzoic acid, C14H8ClNO5, NSC15366, EINECS 201-613-8, NSC 15366, ACMC-209q6m, AC1L25NF, KSC496O4T, SCHEMBL1285789, CHEMBL2059070, DTXSID1058925, SCHEMBL19334467, CTK3J6749, ZINC155213, KS-000011GN, ZX-AT028234, ANW-38204, SBB028602, AKOS001019089, MCULE-1356625082, RTR-026725, VZ34464, o-(4-Chloro-3-nitrobenzoyl)benzoic acid, AJ-13468, AN-42316, AS-14264, CC-05761, K531, 2-(4-chloro-3-nitro-benzoyl)benzoic acid, AX8022866, TR-026725, FT-0618090, ST24021767, ST45021660, TL80090850, 2-(4'-chloro-3'-nitrobenzoyl) benzoic acid, 2-(4-Chloro-3-nitrobenzoyl)benzoic acid, 98%, 4-Chloro-3-nitrobenzophenone-2'-carboxylic Acid, 4'-Chloro-3'-nitrobenzophenone-2-carboxylic acid, C-30912, SR-01000597240, Benzoic acid, o-(4-chloro-3-nitrobenzoyl)- (8CI), SR-01000597240-1, I14-10500, F0850-6872, 1-[(4-ethoxyphenyl)sulfonyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-D-prolinamide, 9FN, 2- BENZOICACID, C14-H8-Cl-N-O5, CID66562, c1013, 2-(4-chlor-3-nitrobenzoyl)benzoesyre, 2-(4-Chloro-3-nitrobenzoyl)benzoic acid, 98% 50g, 2-(4-Chloro-3-nitrobenzoyl)benzoic acid, 98% - 250G 250g,

Complexity	436
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	305.009g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	305.67g/mol
Monoisotopic Mass	305.009g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	100A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number