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Home > Indoles and Oxindole > 339107-08-3
339107-08-3 | 3-[(4-nitrophenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
CAS No: 339107-08-3 Catalog No: AG00IVUJ MDL No:MFCD01568486
Product Description
Catalog Number:
AG00IVUJ
Chemical Name:
3-[(4-nitrophenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
CAS Number:
339107-08-3
Molecular Formula:
C20H13N3O3
Molecular Weight:
343.3355
MDL Number:
MFCD01568486
IUPAC Name:
3-[(4-nitrophenyl)methoxy]pyrido[1,2-a]indole-10-carbonitrile
InChI:
InChI=1S/C20H13N3O3/c21-12-18-17-9-8-16(11-20(17)22-10-2-1-3-19(18)22)26-13-14-4-6-15(7-5-14)23(24)25/h1-11H,13H2
InChI Key:
FUXCWDATJKRDLZ-UHFFFAOYSA-N
SMILES:
N#Cc1c2ccccn2c2c1ccc(c2)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.342g/mol
Monoisotopic Mass:
343.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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