AG00C44Z

22460-52-2 | 4-Bromocyclohexanone

AG00C44Z

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CAS Number	22460-52-2
Catalog Number	AG00C44Z(AGN-PC-008D85)
Chemical Name	4-Bromocyclohexanone
IUPAC Name	4-bromocyclohexan-1-one
InChI	InChI=1S/C6H9BrO/c7-5-1-3-6(8)4-2-5/h5H,1-4H2
InChI Key	OMCGWSBEIHGWOH-UHFFFAOYSA-N
MDL Number	MFCD20621393
Molecular Formula	C6H9BrO
Molecular Weight	177.0391
SMILES	O=C1CCC(Br)CC1
Synonyms	4-Bromocyclohexanone, 22460-52-2, 4-bromocyclohexan-1-one, mono-bromocyclohexanone, Cyclohexanone,4-bromo-, Cyclohexanone, 4-bromo-, SCHEMBL3839916, DTXSID00464683, OMCGWSBEIHGWOH-UHFFFAOYSA-N, ZINC95705284, AKOS026730019, NE36622, CID11401088,

Complexity	90.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.984g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.041g/mol
Monoisotopic Mass	175.984g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number