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15965-55-6 | 1H-Benzimidazole, 2-chloro-7-nitro-
CAS No: 15965-55-6 Catalog No: AG001RA7 MDL No:MFCD18089242
Product Description
Catalog Number:
AG001RA7
Chemical Name:
1H-Benzimidazole, 2-chloro-7-nitro-
CAS Number:
15965-55-6
Molecular Formula:
C7H4ClN3O2
Molecular Weight:
197.5786
MDL Number:
MFCD18089242
IUPAC Name:
2-chloro-4-nitro-1H-benzimidazole
InChI:
InChI=1S/C7H4ClN3O2/c8-7-9-4-2-1-3-5(11(12)13)6(4)10-7/h1-3H,(H,9,10)
InChI Key:
IDHWSFVCVDTHNI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1[nH]c(n2)Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.578g/mol
Monoisotopic Mass:
196.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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