Home Halogens 4-bromo-2-[(3-methoxyphenyl)sulfanyl]benzaldehyde

4-bromo-2-[(3-methoxyphenyl)sulfanyl]benzaldehyde

CAS No.:
1486296-96-1
Catalog Number:
AG01C1TD
Molecular Formula:
C14H11BrO2S
Molecular Weight:
323.2049
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Product Description
Catalog Number:
AG01C1TD
Chemical Name:
4-bromo-2-[(3-methoxyphenyl)sulfanyl]benzaldehyde
CAS Number:
1486296-96-1
Molecular Formula:
C14H11BrO2S
Molecular Weight:
323.2049
MDL Number:
MFCD19528712
IUPAC Name:
4-bromo-2-(3-methoxyphenyl)sulfanylbenzaldehyde
InChI:
InChI=1S/C14H11BrO2S/c1-17-12-3-2-4-13(8-12)18-14-7-11(15)6-5-10(14)9-16/h2-9H,1H3
InChI Key:
FATOOELYSSMSBH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)Sc1cc(Br)ccc1C=O
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.966g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.204g/mol
Monoisotopic Mass:
321.966g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties