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Home > Nitro Compounds > 190841-39-5
190841-39-5 | Benzo[a]pyren-10-ol, 7,8,9,10-tetrahydro-6-nitro-
CAS No: 190841-39-5 Catalog No: AG002EU8 MDL No:
Product Description
Catalog Number:
AG002EU8
Chemical Name:
Benzo[a]pyren-10-ol, 7,8,9,10-tetrahydro-6-nitro-
CAS Number:
190841-39-5
Molecular Formula:
C20H15NO3
Molecular Weight:
317.3380
IUPAC Name:
6-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-10-ol
InChI:
InChI=1S/C20H15NO3/c22-16-6-2-5-14-18(16)13-9-7-11-3-1-4-12-8-10-15(19(13)17(11)12)20(14)21(23)24/h1,3-4,7-10,16,22H,2,5-6H2
InChI Key:
QABHAKLSJUUGDA-UHFFFAOYSA-N
SMILES:
OC1CCCc2c1c1ccc3c4c1c(c2[N+](=O)[O-])ccc4ccc3
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.344g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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