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139958-00-2 | 1H-Naphtho[2,1-b]thiopyran-1-one, 2-(chloromethyl)-
CAS No: 139958-00-2 Catalog No: AG001BVO MDL No:
Product Description
Catalog Number:
AG001BVO
Chemical Name:
1H-Naphtho[2,1-b]thiopyran-1-one, 2-(chloromethyl)-
CAS Number:
139958-00-2
Molecular Formula:
C14H9ClOS
Molecular Weight:
260.7387
IUPAC Name:
2-(chloromethyl)benzo[f]thiochromen-1-one
InChI:
InChI=1S/C14H9ClOS/c15-7-10-8-17-12-6-5-9-3-1-2-4-11(9)13(12)14(10)16/h1-6,8H,7H2
InChI Key:
GBRYIXMNZQLTKQ-UHFFFAOYSA-N
SMILES:
ClCc1csc2c(c1=O)c1ccccc1cc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.735g/mol
Monoisotopic Mass:
260.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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