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Home > Nitro Compounds > 30439-88-4
30439-88-4 | Phenol, 2-[(9H-carbazol-3-ylimino)methyl]-4-nitro-
CAS No: 30439-88-4 Catalog No: AG00304M MDL No:
Product Description
Catalog Number:
AG00304M
Chemical Name:
Phenol, 2-[(9H-carbazol-3-ylimino)methyl]-4-nitro-
CAS Number:
30439-88-4
Molecular Formula:
C19H13N3O3
Molecular Weight:
331.3248
IUPAC Name:
2-(9H-carbazol-3-yliminomethyl)-4-nitrophenol
InChI:
InChI=1S/C19H13N3O3/c23-19-8-6-14(22(24)25)9-12(19)11-20-13-5-7-18-16(10-13)15-3-1-2-4-17(15)21-18/h1-11,21,23H
InChI Key:
YESNVFAHKTXDRN-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C=Nc1ccc2c(c1)c1ccccc1[nH]2)[N+](=O)[O-]
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.096g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.331g/mol
Monoisotopic Mass:
331.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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