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Home > Aldehydes > 918350-11-5
918350-11-5 | 4-bromo-2-(methylsulfanyl)benzaldehyde
CAS No: 918350-11-5 Catalog No: AG019ZEG MDL No:MFCD18887984
Product Description
Catalog Number:
AG019ZEG
Chemical Name:
4-bromo-2-(methylsulfanyl)benzaldehyde
CAS Number:
918350-11-5
Molecular Formula:
C8H7BrOS
Molecular Weight:
231.1096
MDL Number:
MFCD18887984
IUPAC Name:
4-bromo-2-methylsulfanylbenzaldehyde
InChI:
InChI=1S/C8H7BrOS/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChI Key:
QIXIWZNICPQRQP-UHFFFAOYSA-N
SMILES:
CSc1cc(Br)ccc1C=O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.107g/mol
Monoisotopic Mass:
229.94g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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