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Home > Nitro Compounds > 115664-50-1
115664-50-1 | Benzo[e]pyren-3-ol, 8-nitro-
CAS No: 115664-50-1 Catalog No: AG000GQ2 MDL No:
Product Description
Catalog Number:
AG000GQ2
Chemical Name:
Benzo[e]pyren-3-ol, 8-nitro-
CAS Number:
115664-50-1
Molecular Formula:
C20H11NO3
Molecular Weight:
313.3062
IUPAC Name:
8-nitrobenzo[e]pyren-3-ol
InChI:
InChI=1S/C20H11NO3/c22-17-10-8-14-12-3-1-2-4-13(12)20-16(21(23)24)9-6-11-5-7-15(17)19(14)18(11)20/h1-10,22H
InChI Key:
RFVBTMAHKTUIBO-UHFFFAOYSA-N
SMILES:
Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-]
UNII:
W5618489DE
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.074g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.312g/mol
Monoisotopic Mass:
313.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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