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116106-16-2 | 1H-Benzimidazole, 6-bromo-5-methyl-
CAS No: 116106-16-2 Catalog No: AG000BNO MDL No:MFCD11846340
Product Description
Catalog Number:
AG000BNO
Chemical Name:
1H-Benzimidazole, 6-bromo-5-methyl-
CAS Number:
116106-16-2
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
MDL Number:
MFCD11846340
IUPAC Name:
5-bromo-6-methyl-1H-benzimidazole
InChI:
InChI=1S/C8H7BrN2/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-4H,1H3,(H,10,11)
InChI Key:
ZQHHVSZEBVWTRO-UHFFFAOYSA-N
SMILES:
Brc1cc2[nH]cnc2cc1C
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.062g/mol
Monoisotopic Mass:
209.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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