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143207-27-6 | Carbamimidic acid, (1H-imidazol-1-ylcarbonyl)-, methyl ester
CAS No: 143207-27-6 Catalog No: AG007Z1F MDL No:
Product Description
Catalog Number:
AG007Z1F
Chemical Name:
Carbamimidic acid, (1H-imidazol-1-ylcarbonyl)-, methyl ester
CAS Number:
143207-27-6
Molecular Formula:
C6H8N4O2
Molecular Weight:
168.1533
IUPAC Name:
methyl N'-(imidazole-1-carbonyl)carbamimidate
InChI:
InChI=1S/C6H8N4O2/c1-12-5(7)9-6(11)10-3-2-8-4-10/h2-4H,1H3,(H2,7,9,11)
InChI Key:
VBSFYTLAUIJZTG-UHFFFAOYSA-N
SMILES:
COC(=N)NC(=O)n1cncc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.156g/mol
Monoisotopic Mass:
168.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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