AG007L97

135654-16-9 | 3-(Chloromethyl)benzamide

AG007L97

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CAS Number	135654-16-9
Catalog Number	AG007L97(AGN-PC-0JVOOW)
Chemical Name	3-(Chloromethyl)benzamide
IUPAC Name	3-(chloromethyl)benzamide
InChI	InChI=1S/C8H8ClNO/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H2,10,11)
InChI Key	OOYATKQQGVPYQR-UHFFFAOYSA-N
MDL Number	MFCD00175948
Molecular Formula	C8H8ClNO
Molecular Weight	169.6082
SMILES	NC(=O)C1=CC(CCl)=CC=C1
Synonyms	3-(chloromethyl)benzamide, 135654-16-9, 3-Chloromethylbenzamide, Benzamide,3-(chloromethyl)-, benzamide, 3-(chloromethyl)- (9ci), 3-chloromethyl-benzamide, AC1LEJP7, AC1Q4ZAK, 3-Carbamoylbenzyl chloride, ACMC-20a41t, 3-(chloromethyl)-benzamide, SCHEMBL185773, 3-(Aminocarbonyl)benzyl chloride, CTK4B9918, DTXSID90353173, OOYATKQQGVPYQR-UHFFFAOYSA-N, ZINC164278, 6370AA, ANW-56175, MFCD00175948, RW3700, SBB088342, AKOS008105044, AM82905, CC-1896, MCULE-3527736918, NE28488, QC-2130, RTC-020978, AJ-16113, ZB008101, AB0001846, DB-006247, TC-020978, FT-0080173, FT-0602724, EN300-36489, A806966, AC-907/25014206, I01-7580, J-006744, 3-carbamoylbenzyl chloride, 3-(aminocarbonyl)benzyl chloride, C8H8ClNO, CID737145, ZINC00164278,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.029g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.608g/mol
Monoisotopic Mass	169.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310+P330-P405-P501
UN Code	UN 2811

Certificate of Analysis

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