AG00IKPE

1160721-05-0 | 4,4-Difluoroazepane Hydrochloride

AG00IKPE

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CAS Number	1160721-05-0
Catalog Number	AG00IKPE(AGN-PC-0WRB5G)
Chemical Name	4,4-Difluoroazepane Hydrochloride
IUPAC Name	4,4-difluoroazepane;hydrochloride
InChI	InChI=1S/C6H11F2N.ClH/c7-6(8)2-1-4-9-5-3-6;/h9H,1-5H2;1H
InChI Key	INIMNLBMYHJDGE-UHFFFAOYSA-N
MDL Number	MFCD11870210
Molecular Formula	C6H12ClF2N
Molecular Weight	171.6160
SMILES	Cl.FC1(F)CCNCCC1
Synonyms	4,4-DIFLUOROAZEPANE HYDROCHLORIDE, 1094073-72-9, 1160721-05-0, 4,4'-Difluoro-hexahydro-1H-azepine hydrochloride, 4,4-Difluoroazepane HCl, 4,4-Difluoro-perhydro-azepinium chloride, SCHEMBL937458, INIMNLBMYHJDGE-UHFFFAOYSA-N, 4,4-Difluoro-azepane hydrochloride, KS-000002VU, 4,4'-Difluoro-hexahydro-1H-azepine, MFCD11870210, AKOS015849212, PB23930, AS-33421, PC409043, CS-0051120, Q-3909,

Complexity	93.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.063g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	171.616g/mol
Monoisotopic Mass	171.063g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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