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28742-67-8 | 2-butyl-6-nitro-1H-benzo[d]imidazole
CAS No: 28742-67-8 Catalog No: AG01DK6G MDL No:MFCD27948808
Product Description
Catalog Number:
AG01DK6G
Chemical Name:
2-butyl-6-nitro-1H-benzo[d]imidazole
CAS Number:
28742-67-8
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
MDL Number:
MFCD27948808
IUPAC Name:
2-butyl-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C11H13N3O2/c1-2-3-4-11-12-9-6-5-8(14(15)16)7-10(9)13-11/h5-7H,2-4H2,1H3,(H,12,13)
InChI Key:
FRLKLXRCNYGIOL-UHFFFAOYSA-N
SMILES:
CCCCc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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