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199679-86-2 | Butanoic acid, 2-[(4-chlorophenyl)amino]-
CAS No: 199679-86-2 Catalog No: AG002CA7 MDL No:
Product Description
Catalog Number:
AG002CA7
Chemical Name:
Butanoic acid, 2-[(4-chlorophenyl)amino]-
CAS Number:
199679-86-2
Molecular Formula:
C10H12ClNO2
Molecular Weight:
213.6608
IUPAC Name:
2-(4-chloroanilino)butanoic acid
InChI:
InChI=1S/C10H12ClNO2/c1-2-9(10(13)14)12-8-5-3-7(11)4-6-8/h3-6,9,12H,2H2,1H3,(H,13,14)
InChI Key:
CGGIPYHWUZWLJW-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Nc1ccc(cc1)Cl
Properties
Complexity:
191
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:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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