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Home > Nitro Compounds > 115664-51-2
115664-51-2 | Benzo[e]pyren-1-ol, 8-nitro-
CAS No: 115664-51-2 Catalog No: AG000GQ1 MDL No:
Product Description
Catalog Number:
AG000GQ1
Chemical Name:
Benzo[e]pyren-1-ol, 8-nitro-
CAS Number:
115664-51-2
Molecular Formula:
C20H11NO3
Molecular Weight:
313.3062
IUPAC Name:
1-nitrobenzo[l]pyren-8-ol
InChI:
InChI=1S/C20H11NO3/c22-16-10-8-12-6-5-11-7-9-15(21(23)24)19-13-3-1-2-4-14(13)20(16)18(12)17(11)19/h1-10,22H
InChI Key:
JWOJCMLFEHGEJS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O
UNII:
B94L1G141W
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:
5.2
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