AG00IB84

63480-12-6 | Pentanoyl chloride, 4-​chloro-

AG00IB84

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CAS Number	63480-12-6
Catalog Number	AG00IB84(AGN-PC-0NJKRI)
Chemical Name	Pentanoyl chloride, 4-​chloro-
IUPAC Name	4-chloropentanoyl chloride
InChI	InChI=1S/C5H8Cl2O/c1-4(6)2-3-5(7)8/h4H,2-3H2,1H3
InChI Key	HCBIDLRKPXILPU-UHFFFAOYSA-N
MDL Number	MFCD08445304
Molecular Formula	C5H8Cl2O
Molecular Weight	155.0224
SMILES	C(CC(=O)Cl)C(C)Cl
Synonyms	4-chloropentanoyl chloride, 63480-12-6, 4-CHLORO-PENTANOYL CHLORIDE, 4-CHLORO-PENTANOYLCHLORIDE, Pentanoyl chloride,4-chloro-, 4-chlorovaleric acid chloride, 4-chlorovaleryl chloride, 4-ChloropentanoylChloride, epsilon-chlorovaleryl chloride, Pentanoyl chloride, 4-chloro-, SCHEMBL2522581, CTK5B9368, DTXSID30504127, HCBIDLRKPXILPU-UHFFFAOYSA-N, KS-00000AX1, 6146AJ, MFCD08445304, AKOS006291397, NE18648, CS-11670, SY027798, FT-0692463, MFCD08445304 (95%), C5H8Cl2O,

Complexity	82.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.995g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	155.018g/mol
Monoisotopic Mass	153.995g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

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