CCC(=O)CBr
CAS: 816-40-0
Nom: 1-bromobutan-2-one
SMILES: CCC(=O)CBr

Molecular Processing

Molecular formula
C4H7BrO
Molecular weight
151
Exact mass
149.968
XLogP
1.36
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
29.09

Supplementary Information

InChIKey: CCXQVBSQUQCEEO-UHFFFAOYSA-N
Synonymes
1-BROMO-2-BUTANONE816-40-01-bromobutan-2-one2-Butanone, 1-bromo-Bromomethyl ethyl ketoneEINECS 212-431-3BRN 0741894DTXSID002312164-01-00-03258 (Beilstein Handbook Reference)RefChem:75057DTXCID00153707CCXQVBSQUQCEEO-UHFFFAOYSA-N1-BromobutanoneTL 8191-bromo-butan-2-oneMFCD000002074UPM4J7CVAbromobutanonebromobutan-2-one2-Oxobutyl bromidel-bromo-2-butanone1-Brombutanon-(2)1-bromo-2-oxo-butaneUNII-4UPM4J7CVA1-Bromo-2-butanone, 95%SCHEMBL113452SCHEMBL28176271SCHEMBL28199620AKOS005207050FB75130
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→