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101242-22-2 | 4-Thiazolecarboxylic acid, 2-aMino-5-chloro-
CAS No: 101242-22-2 Catalog No: AG00040W MDL No:MFCD03011570
Product Description
Catalog Number:
AG00040W
Chemical Name:
4-Thiazolecarboxylic acid, 2-aMino-5-chloro-
CAS Number:
101242-22-2
Molecular Formula:
C4H3ClN2O2S
Molecular Weight:
178.5968
MDL Number:
MFCD03011570
IUPAC Name:
2-amino-5-chloro-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C4H3ClN2O2S/c5-2-1(3(8)9)7-4(6)10-2/h(H2,6,7)(H,8,9)
InChI Key:
LFUVWRRBVRRNFV-UHFFFAOYSA-N
SMILES:
Nc1sc(c(n1)C(=O)O)Cl
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.96g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.59g/mol
Monoisotopic Mass:
177.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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