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120014-98-4 | Benzo[e]pyren-3-amine
CAS No: 120014-98-4 Catalog No: AG000Q3F MDL No:
Product Description
Catalog Number:
AG000Q3F
Chemical Name:
Benzo[e]pyren-3-amine
CAS Number:
120014-98-4
Molecular Formula:
C20H13N
Molecular Weight:
267.3239
IUPAC Name:
benzo[e]pyren-3-amine
InChI:
InChI=1S/C20H13N/c21-18-11-10-16-14-6-2-1-5-13(14)15-7-3-4-12-8-9-17(18)20(16)19(12)15/h1-11H,21H2
InChI Key:
SHJOBNJGNHQEPJ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1
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:
5.6
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