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69579-39-1 | 1H-Imidazole-4-carboxylicacid, 5-(chlorocarbonyl)-2,3-dihydro-2-oxo-
CAS No: 69579-39-1 Catalog No: AG005K4A MDL No:
Product Description
Catalog Number:
AG005K4A
Chemical Name:
1H-Imidazole-4-carboxylicacid, 5-(chlorocarbonyl)-2,3-dihydro-2-oxo-
CAS Number:
69579-39-1
Molecular Formula:
C5H3ClN2O4
Molecular Weight:
190.5413
IUPAC Name:
5-carbonochloridoyl-2-oxo-1,3-dihydroimidazole-4-carboxylic acid
InChI:
InChI=1S/C5H3ClN2O4/c6-3(9)1-2(4(10)11)8-5(12)7-1/h(H,10,11)(H2,7,8,12)
InChI Key:
QEFLFNLGLZIJDU-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(c([nH]1)C(=O)O)C(=O)Cl
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.978g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.539g/mol
Monoisotopic Mass:
189.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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