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101236-95-7 | 1H-Benzimidazole, 7-nitro-2-(trichloromethyl)-
CAS No: 101236-95-7 Catalog No: AG00040G MDL No:
Product Description
Catalog Number:
AG00040G
Chemical Name:
1H-Benzimidazole, 7-nitro-2-(trichloromethyl)-
CAS Number:
101236-95-7
Molecular Formula:
C8H4Cl3N3O2
Molecular Weight:
280.4953
IUPAC Name:
4-nitro-2-(trichloromethyl)-1H-benzimidazole
InChI:
InChI=1S/C8H4Cl3N3O2/c9-8(10,11)7-12-4-2-1-3-5(14(15)16)6(4)13-7/h1-3H,(H,12,13)
InChI Key:
FSWYJAAPBBKPTA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1[nH]c(n2)C(Cl)(Cl)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.937g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.489g/mol
Monoisotopic Mass:
278.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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