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42990-24-9 | 2-Bromo-4-methylpentanoic acid
CAS No: 42990-24-9 Catalog No: AG0039T7 MDL No:MFCD00039606
Product Description
Catalog Number:
AG0039T7
Chemical Name:
2-Bromo-4-methylpentanoic acid
CAS Number:
42990-24-9
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
MDL Number:
MFCD00039606
IUPAC Name:
2-bromo-4-methylpentanoic acid
InChI:
InChI=1S/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)
InChI Key:
NNFDHJQLIFECSR-UHFFFAOYSA-N
SMILES:
BrC(C(=O)O)CC(C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.994g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.056g/mol
Monoisotopic Mass:
193.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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