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Home > Aldehydes > 167954-14-5
167954-14-5 | 1H-Indole-2-carboxaldehyde, 3-[(4-nitrophenyl)amino]-
CAS No: 167954-14-5 Catalog No: AG001XPF MDL No:MFCD02053268
Product Description
Catalog Number:
AG001XPF
Chemical Name:
1H-Indole-2-carboxaldehyde, 3-[(4-nitrophenyl)amino]-
CAS Number:
167954-14-5
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
MDL Number:
MFCD02053268
IUPAC Name:
3-(4-nitroanilino)-1H-indole-2-carbaldehyde
InChI:
InChI=1S/C15H11N3O3/c19-9-14-15(12-3-1-2-4-13(12)17-14)16-10-5-7-11(8-6-10)18(20)21/h1-9,16-17H
InChI Key:
FFUSCPQVEJMTEU-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c2c(c1Nc1ccc(cc1)[N+](=O)[O-])cccc2
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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