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17561-27-2 | 1H-Imidazole-5-propanoic acid, α-chloro-, (αR)-
CAS No: 17561-27-2 Catalog No: AG00212Q MDL No:
Product Description
Catalog Number:
AG00212Q
Chemical Name:
1H-Imidazole-5-propanoic acid, α-chloro-, (αR)-
CAS Number:
17561-27-2
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
IUPAC Name:
(2R)-2-chloro-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C6H7ClN2O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1H2,(H,8,9)(H,10,11)/t5-/m1/s1
InChI Key:
JZLQYMHAXPPICX-RXMQYKEDSA-N
SMILES:
OC(=O)[C@@H](Cc1cnc[nH]1)Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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