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Home > Imidazoles > 37574-18-8
37574-18-8 | Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester, hydrochloride (1:1)
CAS No: 37574-18-8 Catalog No: AG002N69 MDL No:
Product Description
Catalog Number:
AG002N69
Chemical Name:
Carbamic acid, N-1H-benzimidazol-2-yl-, methyl ester, hydrochloride (1:1)
CAS Number:
37574-18-8
Molecular Formula:
C9H10ClN3O2
Molecular Weight:
227.6476
IUPAC Name:
methyl N-(1H-benzimidazol-2-yl)carbamate;hydrochloride
InChI:
InChI=1S/C9H9N3O2.ClH/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8;/h2-5H,1H3,(H2,10,11,12,13);1H
InChI Key:
JXBLYSQTCABEMR-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1nc2c([nH]1)cccc2.Cl
EC Number:
253-554-2
UNII:
31SOI468G0
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.648g/mol
Monoisotopic Mass:
227.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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