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Home > Nitro Compounds > 120908-68-1
120908-68-1 | 1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CAS No: 120908-68-1 Catalog No: AG00J76Q MDL No:MFCD00551342
Product Description
Catalog Number:
AG00J76Q
Chemical Name:
1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CAS Number:
120908-68-1
Molecular Formula:
C17H15N3O2
Molecular Weight:
293.3199
MDL Number:
MFCD00551342
IUPAC Name:
1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChI:
InChI=1S/C17H15N3O2/c21-20(22)12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17/h1-7,10,16,18-19H,8-9H2
InChI Key:
URZDISYKQVHHJG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.326g/mol
Monoisotopic Mass:
293.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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