AG00DPZP

463961-43-5 | Cyclobutanone, 3-​(bromomethyl)​-

AG00DPZP

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CAS Number	463961-43-5
Catalog Number	AG00DPZP(AGN-PC-0ND8CU)
Chemical Name	Cyclobutanone, 3-​(bromomethyl)​-
IUPAC Name	3-(bromomethyl)cyclobutan-1-one
InChI	InChI=1S/C5H7BrO/c6-3-4-1-5(7)2-4/h4H,1-3H2
InChI Key	KFXLTMWRAJRYGV-UHFFFAOYSA-N
MDL Number	MFCD17170393
Molecular Formula	C5H7BrO
Molecular Weight	163.0125
SMILES	C(Br)C1CC(=O)C1
Synonyms	3-(bromomethyl)cyclobutanone, 463961-43-5, 3-(bromomethyl)cyclobutan-1-one, AK135042, SCHEMBL17824918, AMCB00078, Cyclobutanone, 3-(bromomethyl)-, DTXSID90449146, KS-000007SP, BBL103408, MFCD17170393, STL557218, ZINC38540902, AKOS016015656, AM85778, DS-4883, FCH1174632, PB27115, AJ-96540, EN001437, OR317135, AX8250921, CS-0043859, Q-4966, F2147-4325, CID10942780, A7223,

Complexity	82.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.968g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.014g/mol
Monoisotopic Mass	161.968g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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