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15965-57-8 | 1H-Benzimidazole, 2-chloro-7-methyl-
CAS No: 15965-57-8 Catalog No: AG001RA6 MDL No:MFCD10001473
Product Description
Catalog Number:
AG001RA6
Chemical Name:
1H-Benzimidazole, 2-chloro-7-methyl-
CAS Number:
15965-57-8
Molecular Formula:
C8H7ClN2
Molecular Weight:
166.6076
MDL Number:
MFCD10001473
IUPAC Name:
2-chloro-4-methyl-1H-benzimidazole
InChI:
InChI=1S/C8H7ClN2/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3,(H,10,11)
InChI Key:
SYUSWWBZZRCZGH-UHFFFAOYSA-N
SMILES:
Clc1nc2c([nH]1)c(C)ccc2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.608g/mol
Monoisotopic Mass:
166.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Nonpolar isosteres of damaged DNA bases: effective mimicry of mutagenic properties of 8-oxopurines. | Journal of the American Chemical Society 20070718 |
| Syntheses and properties of low-polarity shape mimics of 8-oxopurines. | Nucleic acids symposium series (2004) 20070101 |
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