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Home > Nitro Compounds > 303148-61-0
303148-61-0 | 1-[(4-methylphenyl)methoxy]-6-nitro-2-phenyl-1H-1,3-benzodiazole
CAS No: 303148-61-0 Catalog No: AG00IUCJ MDL No:MFCD00141487
Product Description
Catalog Number:
AG00IUCJ
Chemical Name:
1-[(4-methylphenyl)methoxy]-6-nitro-2-phenyl-1H-1,3-benzodiazole
CAS Number:
303148-61-0
Molecular Formula:
C21H17N3O3
Molecular Weight:
359.3780
MDL Number:
MFCD00141487
IUPAC Name:
1-[(4-methylphenyl)methoxy]-6-nitro-2-phenylbenzimidazole
InChI:
InChI=1S/C21H17N3O3/c1-15-7-9-16(10-8-15)14-27-23-20-13-18(24(25)26)11-12-19(20)22-21(23)17-5-3-2-4-6-17/h2-13H,14H2,1H3
InChI Key:
BYFBFHALNZEKSR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)COn1c(nc2c1cc(cc2)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.385g/mol
Monoisotopic Mass:
359.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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