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763922-37-8 | (S)-3-Amino-3-(2-chlorophenyl)propanoic acid
CAS No: 763922-37-8 Catalog No: AG0039U1 MDL No:MFCD04113675
Product Description
Catalog Number:
AG0039U1
Chemical Name:
(S)-3-Amino-3-(2-chlorophenyl)propanoic acid
CAS Number:
763922-37-8
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD04113675
IUPAC Name:
(3S)-3-amino-3-(2-chlorophenyl)propanoic acid
InChI:
InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChI Key:
NXXFYRJVRISCCP-QMMMGPOBSA-N
SMILES:
OC(=O)C[C@@H](c1ccccc1Cl)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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