Home Halogens 2-[(4-bromophenyl)methanesulfinyl]acetic acid

2-[(4-bromophenyl)methanesulfinyl]acetic acid

CAS No.:
81431-33-6
Catalog Number:
AG01A25D
Molecular Formula:
C9H9BrO3S
Molecular Weight:
277.1350
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Product Description
Catalog Number:
AG01A25D
Chemical Name:
2-[(4-bromophenyl)methanesulfinyl]acetic acid
CAS Number:
81431-33-6
Molecular Formula:
C9H9BrO3S
Molecular Weight:
277.1350
MDL Number:
MFCD12773798
IUPAC Name:
2-[(4-bromophenyl)methylsulfinyl]acetic acid
InChI:
InChI=1S/C9H9BrO3S/c10-8-3-1-7(2-4-8)5-14(13)6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChI Key:
MSCOFNSNHPDVDO-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)Cc1ccc(cc1)Br
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.946g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.132g/mol
Monoisotopic Mass:
275.946g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties