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72297-05-3 | Benzo[a]pyren-7-amine
CAS No: 72297-05-3 Catalog No: AG005IE3 MDL No:
Product Description
Catalog Number:
AG005IE3
Chemical Name:
Benzo[a]pyren-7-amine
CAS Number:
72297-05-3
Molecular Formula:
C20H13N
Molecular Weight:
267.3239
IUPAC Name:
benzo[a]pyren-7-amine
InChI:
InChI=1S/C20H13N/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11H,21H2
InChI Key:
CYLGRLTVDYSTRG-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1cc1ccc3c4c1c2ccc4ccc3
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.331g/mol
Monoisotopic Mass:
267.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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