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10121-78-5 | Anthracene, 9-[[(2-chloroethyl)thio]methyl]-10-methyl-
CAS No: 10121-78-5 Catalog No: AG0003ZD MDL No:
Product Description
Catalog Number:
AG0003ZD
Chemical Name:
Anthracene, 9-[[(2-chloroethyl)thio]methyl]-10-methyl-
CAS Number:
10121-78-5
Molecular Formula:
C18H17ClS
Molecular Weight:
300.8456
IUPAC Name:
9-(2-chloroethylsulfanylmethyl)-10-methylanthracene
InChI:
InChI=1S/C18H17ClS/c1-13-14-6-2-4-8-16(14)18(12-20-11-10-19)17-9-5-3-7-15(13)17/h2-9H,10-12H2,1H3
InChI Key:
LTXOIQRGDJZUSN-UHFFFAOYSA-N
SMILES:
ClCCSCc1c2ccccc2c(c2c1cccc2)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.844g/mol
Monoisotopic Mass:
300.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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