AG003FKB

21900-46-9 | 2,3-DIMETHYLBENZENE-1-CARBONYL CHLORIDE

AG003FKB

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CAS Number	21900-46-9
Catalog Number	AG003FKB(AGN-PC-0KLBEE)
Chemical Name	2,3-DIMETHYLBENZENE-1-CARBONYL CHLORIDE
IUPAC Name	2,3-dimethylbenzoyl chloride
InChI	InChI=1S/C9H9ClO/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3
InChI Key	WFNKMVDATNLZBX-UHFFFAOYSA-N
MDL Number	MFCD00045217
Molecular Formula	C9H9ClO
Molecular Weight	168.6202
SMILES	O=C(Cl)C1=CC=CC(C)=C1C
Synonyms	2,3-dimethylbenzoyl chloride, 21900-46-9, 2,3-DIMETHYLBENZENE-1-CARBONYL CHLORIDE, Benzoyl chloride, dimethyl-, MFCD00045217, xylic acid chloride, ACMC-20aog3, AC1MCU3I, AC1Q2N9X, SCHEMBL93223, 2,3 dimethylbenzoyl chloride, 2,3-DiMethyl-Benzoyl Chloride, CTK1D9447, WFNKMVDATNLZBX-UHFFFAOYSA-N, ACT02894, ZINC2168858, SBB053622, AKOS009158297, 2,3-Dimethylbenzene-1-carbonylchloride, CM12700, VZ22313, 2,3-dimethyl-1-benzenecarbonyl chloride, 2,3-Dimethylbenzoyl chloride, AldrichCPR, BC646247, PS-10786, SC-78050, DB-045725, TC-171354, FT-0609707, 900D469, A815745, I01-0244, 59371-36-7, ZINC02168858, CID2800899, Benzoyl chloride, 2,3-dimethyl- (6CI,7CI,8CI,9CI),

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.034g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.62g/mol
Monoisotopic Mass	168.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H314-H318
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

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