AG003LQS

10397-30-5 | 4-Methyl-3-nitrobenzoyl chloride

AG003LQS

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CAS Number	10397-30-5
Catalog Number	AG003LQS(AGN-PC-0JL74A)
Chemical Name	4-Methyl-3-nitrobenzoyl chloride
EC Number	233-858-1
IUPAC Name	4-methyl-3-nitrobenzoyl chloride
InChI	InChI=1S/C8H6ClNO3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3
InChI Key	DXMHBBURYDVYAI-UHFFFAOYSA-N
MDL Number	MFCD00035747
Molecular Formula	C8H6ClNO3
Molecular Weight	199.5911
SMILES	CC1=C(C=C(C(=O)Cl)C=C1)[N+](=O)[O-]
Synonyms	4-Methyl-3-nitrobenzoyl chloride, 10397-30-5, 3-Nitro-p-toluyl chloride, 4-Methyl-3-nitrobenzoylchloride, DXMHBBURYDVYAI-UHFFFAOYSA-N, 4-methyl-3-nitro-benzoyl chloride, EINECS 233-858-1, PubChem14043, ACMC-1BOWC, AC1Q2ED8, p-Methyl-m-nitrobenzoylchlorid, SCHEMBL242546, AC1L254C, CTK4A2545, 4-methyl-3 nitrobenzoyl chloride, DTXSID20146171, ZINC2015851, Benzoyl chloride,4-methyl-3-nitro-, MFCD00035747, SBB007967, Benzoyl chloride, 4-methyl-3-nitro-, AKOS009158935, FR-0670, MCULE-4405160603, VZ29385, 4-Methyl-3-nitrobenzoyl chloride, 99%, CJ-31292, U061, DB-040498, TC-168682, FT-0619038, A800864, I01-0099, 3-Nitro-p-toluoyl chloride, C8-H6-Cl-N-O3, CID66323, M-4230,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.59g/mol
Monoisotopic Mass	199.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	62.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number