AG0038EO

84545-14-2 | 4-(Chloromethyl)benzamide

AG0038EO

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CAS Number	84545-14-2
Catalog Number	AG0038EO(AGN-PC-0JRGLM)
Chemical Name	4-(Chloromethyl)benzamide
IUPAC Name	4-(chloromethyl)benzamide
InChI	InChI=1S/C8H8ClNO/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H2,10,11)
InChI Key	OVILZFVTUVWJTO-UHFFFAOYSA-N
MDL Number	MFCD00175950
Molecular Formula	C8H8ClNO
Molecular Weight	169.6082
SMILES	ClCC1=CC=C(C(=O)N)C=C1
Synonyms	4-(Chloromethyl)benzamide, 84545-14-2, 4-(chloromethyl)-benzamide, Benzamide, 4-(chloromethyl)-, OVILZFVTUVWJTO-UHFFFAOYSA-N, 4-chloromethyl-benzamide, ACMC-1BLIN, alpha-Chloro-p-toluamide, AC1L9YAR, AC1Q4ZC2, 4-(Chloromethyl)benzamide #, Benzamide,4-(chloromethyl)-, SCHEMBL186305, SCHEMBL10908999, CTK5F2617, DTXSID30332508, QCR-224, ALBB-012285, ZINC2555906, 2990AC, ANW-37802, KM2217, MFCD00175950, STL282799, AKOS001208898, MCULE-3121734393, AC-25080, AJ-39842, BS-13402, CJ-09384, DA-16688, SC-50026, AB0057459, TC-126547, BB 0258705, FT-0683530, ST24043071, EN300-23572, AC-907/25014207, J-513702, I01-14409, Benzamide,4- -, C8H8ClNO, AIDS018396, CID458363, Benzamide, 4-(chloromethyl)- (9CI),

Complexity	141
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-H311-H331-H341
Packing Group	Ⅲ
Precautionary statements	P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

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