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Home > Aldehydes > 254878-96-1
254878-96-1 | 3-Bromo-4-(methylsulfonyl);benzaldehyde
CAS No: 254878-96-1 Catalog No: AG003J12 MDL No:MFCD13191600
Product Description
Catalog Number:
AG003J12
Chemical Name:
3-Bromo-4-(methylsulfonyl);benzaldehyde
CAS Number:
254878-96-1
Molecular Formula:
C8H7BrO3S
Molecular Weight:
263.1084
MDL Number:
MFCD13191600
IUPAC Name:
3-bromo-4-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H7BrO3S/c1-13(11,12)8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChI Key:
VQVXLUIYQIQWLH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Br)S(=O)(=O)C
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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