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Home > Imidazoles > 291765-95-2
291765-95-2 | Carbamic acid, 1H-benzimidazol-2-yl-4,5,6,7-d4-, methyl ester (9CI)
CAS No: 291765-95-2 Catalog No: AG002XLB MDL No:
Product Description
Catalog Number:
AG002XLB
Chemical Name:
Carbamic acid, 1H-benzimidazol-2-yl-4,5,6,7-d4-, methyl ester (9CI)
CAS Number:
291765-95-2
Molecular Formula:
C9H5D4N3O2
Molecular Weight:
195.2113
IUPAC Name:
methyl N-(4,5,6,7-tetradeuterio-1H-benzimidazol-2-yl)carbamate
InChI:
InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)/i2D,3D,4D,5D
InChI Key:
TWFZGCMQGLPBSX-QFFDRWTDSA-N
SMILES:
COC(=O)Nc1[nH]c2c(n1)c([2H])c(c(c2[2H])[2H])[2H]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
4
Molecular Weight:
195.214g/mol
Monoisotopic Mass:
195.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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