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14063-83-3 | 2H-1-Benzothiopyran-3-carboxaldehyde, 4-chloro-
CAS No: 14063-83-3 Catalog No: AG001CLX MDL No:
Product Description
Catalog Number:
AG001CLX
Chemical Name:
2H-1-Benzothiopyran-3-carboxaldehyde, 4-chloro-
CAS Number:
14063-83-3
Molecular Formula:
C10H7ClOS
Molecular Weight:
210.6800
IUPAC Name:
4-chloro-2H-thiochromene-3-carbaldehyde
InChI:
InChI=1S/C10H7ClOS/c11-10-7(5-12)6-13-9-4-2-1-3-8(9)10/h1-5H,6H2
InChI Key:
DADSQEKJVIEJHZ-UHFFFAOYSA-N
SMILES:
O=CC1=C(Cl)c2c(SC1)cccc2
EC Number:
237-910-4
NSC Number:
108688
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.675g/mol
Monoisotopic Mass:
209.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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