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85187-34-4 | Carbamic acid,1H-benzimidazol-2-yl-, methyl ester, monohydrobromide (9CI)
CAS No: 85187-34-4 Catalog No: AG004MJ3 MDL No:
Product Description
Catalog Number:
AG004MJ3
Chemical Name:
Carbamic acid,1H-benzimidazol-2-yl-, methyl ester, monohydrobromide (9CI)
CAS Number:
85187-34-4
Molecular Formula:
C9H10BrN3O2
Molecular Weight:
272.0986
IUPAC Name:
methyl N-(1H-benzimidazol-2-yl)carbamate;hydrobromide
InChI:
InChI=1S/C9H9N3O2.BrH/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:
MIDUSXSVFYCCEX-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1nc2c([nH]1)cccc2.Br
EC Number:
286-123-2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.102g/mol
Monoisotopic Mass:
270.996g/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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