AG003MKU

3884-71-7 | 5-Bromo-pentan-2-one

AG003MKU

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CAS Number	3884-71-7
Catalog Number	AG003MKU(AGN-PC-0JLQQD)
Chemical Name	5-Bromo-pentan-2-one
EC Number	223-419-2
IUPAC Name	5-bromopentan-2-one
InChI	InChI=1S/C5H9BrO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChI Key	HTKABMPGOHRVCT-UHFFFAOYSA-N
MDL Number	MFCD00051425
Molecular Formula	C5H9BrO
Molecular Weight	165.0284
SMILES	BrCCCC(C)=O
Synonyms	5-Bromopentan-2-one, 3884-71-7, 5-BROMO-PENTAN-2-ONE, 2-Pentanone, 5-bromo-, 5-Bromo-2-pentanone, 1-Bromo-4-pentanone, HTKABMPGOHRVCT-UHFFFAOYSA-N, EINECS 223-419-2, AC1Q27TV, SCHEMBL808507, AC1L2T64, DTXSID7063219, CTK1C5542, ZINC5196483, ANW-74977, MFCD00051425, AKOS006273529, GS-6091, KS-0000267R, AJ-53569, BR-50645, CJ-12516, SC-91341, TC-163722, FT-0696042, ST24032964, W5938, S-3172, C5H9BrO, C5-H9-Br-O, CID77493, AR-1G7540, 2-(2-phenylpyridin-4-yl)acetic acid, 40736-31-0,

Complexity	61.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.984g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.03g/mol
Monoisotopic Mass	163.984g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number