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1181645-75-9 | Benzeneacetic acid, 2-chloro-alpha-(1-methylethyl)-
CAS No: 1181645-75-9 Catalog No: AG01F8OG MDL No:
Product Description
Catalog Number:
AG01F8OG
Chemical Name:
Benzeneacetic acid, 2-chloro-alpha-(1-methylethyl)-
CAS Number:
1181645-75-9
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
2-(2-chlorophenyl)-3-methylbutanoic acid
InChI:
InChI=1S/C11H13ClO2/c1-7(2)10(11(13)14)8-5-3-4-6-9(8)12/h3-7,10H,1-2H3,(H,13,14)
InChI Key:
VZSDHLBHYZVXQK-UHFFFAOYSA-N
SMILES:
CC(C(c1ccccc1Cl)C(=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:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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