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14561-56-9 | Butanoic acid, 2-amino-3-chloro-
CAS No: 14561-56-9 Catalog No: AG001D8K MDL No:
Product Description
Catalog Number:
AG001D8K
Chemical Name:
Butanoic acid, 2-amino-3-chloro-
CAS Number:
14561-56-9
Molecular Formula:
C4H8ClNO2
Molecular Weight:
137.5648
IUPAC Name:
2-amino-3-chlorobutanoic acid
InChI:
InChI=1S/C4H8ClNO2/c1-2(5)3(6)4(7)8/h2-3H,6H2,1H3,(H,7,8)
InChI Key:
YFYASMWDAMXQQT-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)N)Cl
Properties
Complexity:
96
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.024g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
137.563g/mol
Monoisotopic Mass:
137.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
Literature
| Title | Journal |
|---|---|
| Deregulation of acetohydroxy-acid synthase: Loss of allosteric inhibition conferred by mutations in the catalytic subunit. | Folia microbiologica 20080101 |
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