Home Halogens methyl 5-bromo-2-fluoro-3-sulfamoylbenzoate

methyl 5-bromo-2-fluoro-3-sulfamoylbenzoate

CAS No.:
1342740-16-2
Catalog Number:
AG01ABOR
Molecular Formula:
C8H7BrFNO4S
Molecular Weight:
312.1129
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Product Description
Catalog Number:
AG01ABOR
Chemical Name:
methyl 5-bromo-2-fluoro-3-sulfamoylbenzoate
CAS Number:
1342740-16-2
Molecular Formula:
C8H7BrFNO4S
Molecular Weight:
312.1129
MDL Number:
MFCD18897518
IUPAC Name:
methyl 5-bromo-2-fluoro-3-sulfamoylbenzoate
InChI:
InChI=1S/C8H7BrFNO4S/c1-15-8(12)5-2-4(9)3-6(7(5)10)16(11,13)14/h2-3H,1H3,(H2,11,13,14)
InChI Key:
DUTZHFUOWKDILX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1F)S(=O)(=O)N
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.926g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.109g/mol
Monoisotopic Mass:
310.926g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties