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126663-37-4 | L-Histidine, 2-chloro-
CAS No: 126663-37-4 Catalog No: AG000T1F MDL No:
Product Description
Catalog Number:
AG000T1F
Chemical Name:
L-Histidine, 2-chloro-
CAS Number:
126663-37-4
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
IUPAC Name:
(2S)-2-amino-3-(2-chloro-1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C6H8ClN3O2/c7-6-9-2-3(10-6)1-4(8)5(11)12/h2,4H,1,8H2,(H,9,10)(H,11,12)/t4-/m0/s1
InChI Key:
RJHXBCPMXIGGCP-BYPYZUCNSA-N
SMILES:
N[C@H](C(=O)O)Cc1c[nH]c(n1)Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
189.599g/mol
Monoisotopic Mass:
189.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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