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Home > Aldehydes > 1486296-96-1
1486296-96-1 | 4-bromo-2-[(3-methoxyphenyl)sulfanyl]benzaldehyde
CAS No: 1486296-96-1 Catalog No: AG01C1TD MDL No:MFCD19528712
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
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