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2955-47-7 | Benzenepropanoic acid, α-butyl-α-(4-chlorophenyl)-
CAS No: 2955-47-7 Catalog No: AG002YQ3 MDL No:
Product Description
Catalog Number:
AG002YQ3
Chemical Name:
Benzenepropanoic acid, α-butyl-α-(4-chlorophenyl)-
CAS Number:
2955-47-7
Molecular Formula:
C19H21ClO2
Molecular Weight:
316.8218
IUPAC Name:
2-benzyl-2-(4-chlorophenyl)hexanoic acid
InChI:
InChI=1S/C19H21ClO2/c1-2-3-13-19(18(21)22,14-15-7-5-4-6-8-15)16-9-11-17(20)12-10-16/h4-12H,2-3,13-14H2,1H3,(H,21,22)
InChI Key:
DXUBWNXUFPOUSV-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccc(cc1)Cl)(C(=O)O)Cc1ccccc1
NSC Number:
86388
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.825g/mol
Monoisotopic Mass:
316.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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