CC(C)CC(C(=O)O)Br
CAS: 42990-28-3
Name: (2R)-2-bromo-4-methylpentanoic acid
SMILES: CC(C)CC(C(=O)O)Br

Molecular Processing

Molecular formula
C6H11BrO2
Molecular weight
195.06
Exact mass
193.9942
XLogP
1.88
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
39.81

Supplementary Information

InChIKey: NNFDHJQLIFECSR-RXMQYKEDSA-N
Synonyme
42990-28-3(2R)-2-bromo-4-methylpentanoic acidRefChem:397218987-660-1(R)-2-bromo-4-methylpentanoic acidMFCD00211266(R)-2-Bromo-4-methylvaleric acid(S)-2-BROMO-4-METHYLVALERIC ACIDPentanoic acid, 2-bromo-4-methyl-, (R)-SCHEMBL489803NNFDHJQLIFECSR-RXMQYKEDSA-N2(R)-Bromo-4-metylpentanoic acid2(R)-bromo-4-methylpentanoic acid(R)-2-Bromo-4-methvlpentanoic acid(R)-2-bromo-4-methyl valeric acidAKOS032971364AT22422(2R)-2-bromo-4-methyl-pentanoic acidEN300-6744719(2R)-2-Bromo-4-methylpentanoic acid; (R)-2-Bromo-4-methylpentanoic acid; D--Bromo--methylvaleric acid; D--Bromoisocaproic acid
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