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17413-86-4 | Alanine, N-(4-chlorophenyl)-2-methyl-
CAS No: 17413-86-4 Catalog No: AG001ZHE MDL No:MFCD04116929
Product Description
Catalog Number:
AG001ZHE
Chemical Name:
Alanine, N-(4-chlorophenyl)-2-methyl-
CAS Number:
17413-86-4
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
MDL Number:
MFCD04116929
IUPAC Name:
2-(4-chloroanilino)-2-methylpropanoic acid
InChI:
InChI=1S/C10H12ClNO2/c1-10(2,9(13)14)12-8-5-3-7(11)4-6-8/h3-6,12H,1-2H3,(H,13,14)
InChI Key:
OIWFXFNZHAOBJP-UHFFFAOYSA-N
SMILES:
OC(=O)C(Nc1ccc(cc1)Cl)(C)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.661g/mol
Monoisotopic Mass:
213.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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