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128095-75-0 | 1H-Imidazole-5-carboxylic acid, 2-chloro-4-methyl-, methyl ester
CAS No: 128095-75-0 Catalog No: AG000XSI MDL No:MFCD21336573
Product Description
Catalog Number:
AG000XSI
Chemical Name:
1H-Imidazole-5-carboxylic acid, 2-chloro-4-methyl-, methyl ester
CAS Number:
128095-75-0
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD21336573
IUPAC Name:
methyl 2-chloro-5-methyl-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C6H7ClN2O2/c1-3-4(5(10)11-2)9-6(7)8-3/h1-2H3,(H,8,9)
InChI Key:
QRKNHUYLADEXTJ-UHFFFAOYSA-N
SMILES:
Cc1nc([nH]c1C(=O)OC)Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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