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113512-26-8 | L-Alanine, N-chloro-, hydrochloride (9CI)
CAS No: 113512-26-8 Catalog No: AG0008U9 MDL No:
Product Description
Catalog Number:
AG0008U9
Chemical Name:
L-Alanine, N-chloro-, hydrochloride (9CI)
CAS Number:
113512-26-8
Molecular Formula:
C3H7Cl2NO2
Molecular Weight:
159.9992
IUPAC Name:
2-(chloroamino)propanoic acid;hydrochloride
InChI:
InChI=1S/C3H6ClNO2.ClH/c1-2(5-4)3(6)7;/h2,5H,1H3,(H,6,7);1H
InChI Key:
YOVHDCFHDVHTPM-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)O)NCl.Cl
Properties
Complexity:
75.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.985g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
159.994g/mol
Monoisotopic Mass:
158.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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