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Home > Nitro Compounds > 1023576-74-0
1023576-74-0 | 1-(3,5-dinitrobenzoyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CAS No: 1023576-74-0 Catalog No: AG00J028 MDL No:MFCD00245634
Product Description
Catalog Number:
AG00J028
Chemical Name:
1-(3,5-dinitrobenzoyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CAS Number:
1023576-74-0
Molecular Formula:
C17H15N3O5
Molecular Weight:
341.3181
MDL Number:
MFCD00245634
IUPAC Name:
(3,5-dinitrophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
InChI:
InChI=1S/C17H15N3O5/c1-11-4-5-16-12(7-11)3-2-6-18(16)17(21)13-8-14(19(22)23)10-15(9-13)20(24)25/h4-5,7-10H,2-3,6H2,1H3
InChI Key:
SCVLXDWIXLSFSQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CCCN2C(=O)c1cc(cc(c1)[N+](=O)[O-])[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:
341.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.323g/mol
Monoisotopic Mass:
341.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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