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15965-58-9 | 1H-Benzimidazole, 2-chloro-7-methoxy-
CAS No: 15965-58-9 Catalog No: AG001RA5 MDL No:
Product Description
Catalog Number:
AG001RA5
Chemical Name:
1H-Benzimidazole, 2-chloro-7-methoxy-
CAS Number:
15965-58-9
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
IUPAC Name:
2-chloro-4-methoxy-1H-benzimidazole
InChI:
InChI=1S/C8H7ClN2O/c1-12-6-4-2-3-5-7(6)11-8(9)10-5/h2-4H,1H3,(H,10,11)
InChI Key:
LGIACANWMZXUKU-UHFFFAOYSA-N
SMILES:
COc1cccc2c1[nH]c(n2)Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.607g/mol
Monoisotopic Mass:
182.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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