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138789-67-0 | Azabenzopyrene, methyl- (9CI)
CAS No: 138789-67-0 Catalog No: AG0019K0 MDL No:
Product Description
Catalog Number:
AG0019K0
Chemical Name:
Azabenzopyrene, methyl- (9CI)
CAS Number:
138789-67-0
Molecular Formula:
C20H13N
Molecular Weight:
267.3239
IUPAC Name:
10-methyl-9-azapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8,10,12(20),13,15(19),16-decaene
InChI:
InChI=1S/C20H13N/c1-12-11-14-10-9-13-5-4-8-16-15-6-2-3-7-17(15)20(21-12)19(14)18(13)16/h2-11H,1H3
InChI Key:
LJUKYFSKLUXFMG-UHFFFAOYSA-N
SMILES:
Cc1cc2ccc3c4c2c(n1)c1ccccc1c4ccc3
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:
0
Isotope Atom Count:
0
Molecular Weight:
267.331g/mol
Monoisotopic Mass:
267.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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