AG00049V

101349-71-7 | Benzaldehyde, 4-chloro-3-methyl-

AG00049V

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CAS Number	101349-71-7
Catalog Number	AG00049V(AGN-PC-0KKLXJ)
Chemical Name	Benzaldehyde, 4-chloro-3-methyl-
IUPAC Name	4-chloro-3-methylbenzaldehyde
InChI	InChI=1S/C8H7ClO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
InChI Key	XEBIOIKLNGZROU-UHFFFAOYSA-N
MDL Number	MFCD02261736
Molecular Formula	C8H7ClO
Molecular Weight	154.5936
SMILES	CC1=C(Cl)C=CC(C=O)=C1
Synonyms	4-chloro-3-methylbenzaldehyde, 101349-71-7, Benzaldehyde, 4-chloro-3-methyl-, AC1MBWDL, SCHEMBL276473, 4-chloro-3-methyl-benzaldehyde, CTK7H9193, KS-00000JVT, DTXSID70373990, XEBIOIKLNGZROU-UHFFFAOYSA-N, ZINC2581075, GEO-00707, AKOS006222265, AB11800, AS05565, CM11897, MCULE-2475509940, RP21902, AJ-42975, AK-44210, AN-34209, DS-14406, 4-Chloro-3-methylbenzaldehyde, AldrichCPR, AB0036327, DB-058598, RT-020322, FT-0692451, ST24043584, ST51042113, Y3523, Q-7403, 349C717, J-000371, J-515018, I14-32216, C8H7ClO, 2-chloro-4-fluoro-1-iodobenzene, ZINC02581075, CID2757659,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.019g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.593g/mol
Monoisotopic Mass	154.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number