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117391-57-8 | Benzenepropanoic acid, β-amino-3,4-dichloro-
CAS No: 117391-57-8 Catalog No: AG000E7P MDL No:MFCD00462884
Product Description
Catalog Number:
AG000E7P
Chemical Name:
Benzenepropanoic acid, β-amino-3,4-dichloro-
CAS Number:
117391-57-8
Molecular Formula:
C9H9Cl2NO2
Molecular Weight:
234.0793
MDL Number:
MFCD00462884
IUPAC Name:
3-amino-3-(3,4-dichlorophenyl)propanoic acid
InChI:
InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)
InChI Key:
ACJWNKAQMZQVBW-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(c(c1)Cl)Cl)N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.076g/mol
Monoisotopic Mass:
233.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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