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Home > Aldehydes > 849035-77-4
849035-77-4 | 4-Bromo-2-(methylsulfonyl)benzaldehyde
CAS No: 849035-77-4 Catalog No: AG003KVC MDL No:MFCD04037947
Product Description
Catalog Number:
AG003KVC
Chemical Name:
4-Bromo-2-(methylsulfonyl)benzaldehyde
CAS Number:
849035-77-4
Molecular Formula:
C8H7BrO3S
Molecular Weight:
263.1084
MDL Number:
MFCD04037947
IUPAC Name:
4-bromo-2-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H7BrO3S/c1-13(11,12)8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChI Key:
KMXMXSSAUZKLCE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1S(=O)(=O)C)Br
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.93g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.105g/mol
Monoisotopic Mass:
261.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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