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Home > Nitro Compounds > 88974-79-2
88974-79-2 | 9H-Carbazole, 9-butyl-3-nitro-
CAS No: 88974-79-2 Catalog No: AG0046KI MDL No:
Product Description
Catalog Number:
AG0046KI
Chemical Name:
9H-Carbazole, 9-butyl-3-nitro-
CAS Number:
88974-79-2
Molecular Formula:
C16H16N2O2
Molecular Weight:
268.3104
IUPAC Name:
9-butyl-3-nitrocarbazole
InChI:
InChI=1S/C16H16N2O2/c1-2-3-10-17-15-7-5-4-6-13(15)14-11-12(18(19)20)8-9-16(14)17/h4-9,11H,2-3,10H2,1H3
InChI Key:
AEPGKFYDDKSQBC-UHFFFAOYSA-N
SMILES:
CCCCn1c2ccccc2c2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.316g/mol
Monoisotopic Mass:
268.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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