Home Other Building Blocks 1-Bromo-2-butanone

1-Bromo-2-butanone

CAS No.:
816-40-0
Catalog Number:
AG0032PA
Molecular Formula:
C4H7BrO
Molecular Weight:
151.0018
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Product Description
Catalog Number:
AG0032PA
Chemical Name:
1-Bromo-2-butanone
CAS Number:
816-40-0
Molecular Formula:
C4H7BrO
Molecular Weight:
151.0018
MDL Number:
MFCD00000207
IUPAC Name:
1-bromobutan-2-one
InChI:
InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3
InChI Key:
CCXQVBSQUQCEEO-UHFFFAOYSA-N
SMILES:
CCC(=O)CBr
EC Number:
212-431-3
UN Number:
1693
Properties
Complexity:
51.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.968g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.003g/mol
Monoisotopic Mass:
149.968g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Ethyl 2-(4-nitro-phen-oxy)acetate. Acta crystallographica. Section E, Structure reports online 20120501
Properties