AG00BX2U

305851-04-1 | 1-Benzotriazol-1-yl-3-chloropropan-2-one

AG00BX2U

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CAS Number	305851-04-1
Catalog Number	AG00BX2U(AGN-PC-0KUHD8)
Chemical Name	1-Benzotriazol-1-yl-3-chloropropan-2-one
IUPAC Name	1-(benzotriazol-1-yl)-3-chloropropan-2-one
InChI	InChI=1S/C9H8ClN3O/c10-5-7(14)6-13-9-4-2-1-3-8(9)11-12-13/h1-4H,5-6H2
InChI Key	INRLHOWDOGFXJJ-UHFFFAOYSA-N
MDL Number	MFCD01823137
Molecular Formula	C9H8ClN3O
Molecular Weight	209.6323
SMILES	N1=NC2=C(C=CC=C2)N1CC(CCl)=O
Synonyms	1-Benzotriazol-1-yl-3-chloropropan-2-one, 305851-04-1, J-504233, AC1MPXOB, CTK8E2376, DTXSID70392520, ZINC5777729, 9656AD, MFCD01823137, AKOS015949595, FCH1333544, RP09534, 1-(3-Chloroacetonyl)-1H-benzotriazole, ACM305851041, 1-(1h-benzotriazol-1-yl)-3-chloroacetone, TC-068062, FT-0685648, 1-(benzotriazol-1-yl)-3-chloropropan-2-one, 1-(1,2,3-benzotriazol-1-yl)-3-chloropropan-2-one, 1-Benzotriazol-1-yl-3-chloropropan-2-one, AldrichCPR, 1-(1H-1,2,3-Benzotriazol-1-yl)-3-chloropropan-2-one, 1-BENZOTRIAZOL-1-YL-3-CHLOROPROPAN-2-ONE[305851-04-1], C9H8ClN3O, CID3442837, 1-benzotriazol-1-yl-3-chloro-propan-2-one,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.036g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.633g/mol
Monoisotopic Mass	209.036g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	47.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H319
Packing Group	\N
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number