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885280-00-2 | Methyl 6-bromo-1H-benzoimidazole-2-carboxylate
CAS No: 885280-00-2 Catalog No: AG004591 MDL No:MFCD06738305
Product Description
Catalog Number:
AG004591
Chemical Name:
Methyl 6-bromo-1H-benzoimidazole-2-carboxylate
CAS Number:
885280-00-2
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD06738305
IUPAC Name:
methyl 6-bromo-1H-benzimidazole-2-carboxylate
InChI:
InChI=1S/C9H7BrN2O2/c1-14-9(13)8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H,11,12)
InChI Key:
NRTHYMUOIGVFMM-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c([nH]1)cc(cc2)Br
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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