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Home > Bromides > 1248566-21-3
1248566-21-3 | 1H-Benzimidazole-2-methanol, 7-bromo-
CAS No: 1248566-21-3 Catalog No: AG000MSN MDL No:MFCD17267703
Product Description
Catalog Number:
AG000MSN
Chemical Name:
1H-Benzimidazole-2-methanol, 7-bromo-
CAS Number:
1248566-21-3
Molecular Formula:
C8H7BrN2O
Molecular Weight:
227.0580
MDL Number:
MFCD17267703
IUPAC Name:
(4-bromo-1H-benzimidazol-2-yl)methanol
InChI:
InChI=1S/C8H7BrN2O/c9-5-2-1-3-6-8(5)11-7(4-12)10-6/h1-3,12H,4H2,(H,10,11)
InChI Key:
MKWHLNKGLAEXPR-UHFFFAOYSA-N
SMILES:
OCc1nc2c([nH]1)c(Br)ccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.061g/mol
Monoisotopic Mass:
225.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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