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150571-02-1 | β-Alanine, N-(3,5-dichlorophenyl)-
CAS No: 150571-02-1 Catalog No: AG001MQ5 MDL No:MFCD09878807
Product Description
Catalog Number:
AG001MQ5
Chemical Name:
β-Alanine, N-(3,5-dichlorophenyl)-
CAS Number:
150571-02-1
Molecular Formula:
C9H9Cl2NO2
Molecular Weight:
234.0793
MDL Number:
MFCD09878807
IUPAC Name:
3-(3,5-dichloroanilino)propanoic acid
InChI:
InChI=1S/C9H9Cl2NO2/c10-6-3-7(11)5-8(4-6)12-2-1-9(13)14/h3-5,12H,1-2H2,(H,13,14)
InChI Key:
JLQFNPSDKJAWCH-UHFFFAOYSA-N
SMILES:
OC(=O)CCNc1cc(Cl)cc(c1)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:
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:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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