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70303-54-7 | L-Alanine, N-chloro- (9CI)
CAS No: 70303-54-7 Catalog No: AG005JW5 MDL No:
Product Description
Catalog Number:
AG005JW5
Chemical Name:
L-Alanine, N-chloro- (9CI)
CAS Number:
70303-54-7
Molecular Formula:
C3H6ClNO2
Molecular Weight:
123.5382
IUPAC Name:
(2S)-2-(chloroamino)propanoic acid
InChI:
InChI=1S/C3H6ClNO2/c1-2(5-4)3(6)7/h2,5H,1H3,(H,6,7)/t2-/m0/s1
InChI Key:
TYZYNGFWGHGRBZ-REOHCLBHSA-N
SMILES:
C[C@@H](C(=O)O)NCl
Properties
Complexity:
75.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
123.009g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
123.536g/mol
Monoisotopic Mass:
123.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
Literature
| Title | Journal |
|---|---|
| N-chloroamino acids cause oxidative protein modifications in the erythrocyte membrane. | Mechanisms of ageing and development 20081001 |
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