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1016313-25-9 | 4-bromo-2-isobutylbenzoic acid
CAS No: 1016313-25-9 Catalog No: AG01FEZ5 MDL No:
Product Description
Catalog Number:
AG01FEZ5
Chemical Name:
4-bromo-2-isobutylbenzoic acid
CAS Number:
1016313-25-9
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
IUPAC Name:
4-bromo-2-(2-methylpropyl)benzoic acid
InChI:
InChI=1S/C11H13BrO2/c1-7(2)5-8-6-9(12)3-4-10(8)11(13)14/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChI Key:
LVXVONBHKAOETR-UHFFFAOYSA-N
SMILES:
CC(Cc1cc(Br)ccc1C(=O)O)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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