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Home > Nitro Compounds > 197847-08-8
197847-08-8 | Benzamide, 3,5-dinitro-N-[(4S)-1,2,3,4-tetrahydro-4-phenanthrenyl]-
CAS No: 197847-08-8 Catalog No: AG002B40 MDL No:
Product Description
Catalog Number:
AG002B40
Chemical Name:
Benzamide, 3,5-dinitro-N-[(4S)-1,2,3,4-tetrahydro-4-phenanthrenyl]-
CAS Number:
197847-08-8
Molecular Formula:
C21H17N3O5
Molecular Weight:
391.3768
IUPAC Name:
3,5-dinitro-N-[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]benzamide
InChI:
InChI=1S/C21H17N3O5/c25-21(15-10-16(23(26)27)12-17(11-15)24(28)29)22-19-7-3-5-14-9-8-13-4-1-2-6-18(13)20(14)19/h1-2,4,6,8-12,19H,3,5,7H2,(H,22,25)/t19-/m0/s1
InChI Key:
VUXHWLMAPJVPNQ-IBGZPJMESA-N
SMILES:
O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N[C@H]1CCCc2c1c1ccccc1cc2
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
391.117g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.383g/mol
Monoisotopic Mass:
391.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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