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1236-28-8 | Thiophene, 3-benz[a]anthracen-7-yl-
CAS No: 1236-28-8 Catalog No: AG000KUE MDL No:
Product Description
Catalog Number:
AG000KUE
Chemical Name:
Thiophene, 3-benz[a]anthracen-7-yl-
CAS Number:
1236-28-8
Molecular Formula:
C22H14S
Molecular Weight:
310.4116
IUPAC Name:
3-benzo[a]anthracen-7-ylthiophene
InChI:
InChI=1S/C22H14S/c1-3-7-18-15(5-1)9-10-20-21(18)13-16-6-2-4-8-19(16)22(20)17-11-12-23-14-17/h1-14H
InChI Key:
HADNLXWWYPRWQK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2c2cscc2)ccc2c1cccc2
NSC Number:
99494
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.414g/mol
Monoisotopic Mass:
310.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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