AG00BZS5

41908-12-7 | 3'-CHLOROMETHYLACETOPHENONE

AG00BZS5

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CAS Number	41908-12-7
Catalog Number	AG00BZS5(AGN-PC-0WA3LQ)
Chemical Name	3'-CHLOROMETHYLACETOPHENONE
IUPAC Name	1-[3-(chloromethyl)phenyl]ethanone
InChI	InChI=1S/C9H9ClO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3
InChI Key	COWCOTXRROPSNR-UHFFFAOYSA-N
MDL Number	MFCD06658170
Molecular Formula	C9H9ClO
Molecular Weight	168.6202
SMILES	CC(C1=CC=CC(CCl)=C1)=O
Synonyms	41908-12-7, 1-(3-(Chloromethyl)phenyl)ethanone, 3'-Chloromethylacetophenone, 3-Chloromethylacetophenone, 3-Chloromethyl-acetophenone, 1-[3-(chloromethyl)phenyl]ethan-1-one, 1-[3-(chloromethyl)phenyl]ethanone, Ethanone,1-[3-(chloromethyl)phenyl]-, 3 -Chloromethylacetophenone, 1-(3-Chloromethyl-phenyl)-ethanone, PubChem23456, m-chloromethylacetophenone, KSC585I2B, 3'-(Chloromethyl)acetophenone, SCHEMBL6155568, CTK4I5420, KS-00000NKS, DTXSID80634165, COWCOTXRROPSNR-UHFFFAOYSA-N, ACT00880, ANW-46442, FCH853087, MFCD06658170, ZINC16697503, AKOS006294850, AS06810, DS-1824, VZ25317, ACM41908127, AJ-69354, AK-86175, CC-14854, SC-13429, AB0006455, AX8086119, DB-050821, RT-001309, ST2408545, 4CH-015543, FT-0639750, W6202, M-9075, A825691, C-05088, C9H9ClO, 1-(3-(chloromethyl) phenyl)ethanone, ACN-037915,

Complexity	145
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	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number