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1208-88-4 | 4-(PHENYLTHIO)BENZALDEHYDE
CAS No: 1208-88-4 Catalog No: AG008RIT MDL No:MFCD01666578
Product Description
Catalog Number:
AG008RIT
Chemical Name:
4-(PHENYLTHIO)BENZALDEHYDE
CAS Number:
1208-88-4
Molecular Formula:
C13H10OS
Molecular Weight:
214.2829
MDL Number:
MFCD01666578
IUPAC Name:
4-phenylsulfanylbenzaldehyde
InChI:
InChI=1S/C13H10OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H
InChI Key:
VDNBWBPUFMZCEW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Sc1ccccc1
EC Number:
214-905-5
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.282g/mol
Monoisotopic Mass:
214.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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