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Home Sulfos Methyl 2-[(4-bromobenzene)sulfonamido]acetate

Methyl 2-[(4-bromobenzene)sulfonamido]acetate

CAS No.:
349405-06-7
Catalog Number:
AG00I6X4
Molecular Formula:
C9H10BrNO4S
Molecular Weight:
308.1490
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Product Description
Catalog Number:
AG00I6X4
Chemical Name:
Methyl 2-[(4-bromobenzene)sulfonamido]acetate
CAS Number:
349405-06-7
Molecular Formula:
C9H10BrNO4S
Molecular Weight:
308.1490
MDL Number:
MFCD01215124
IUPAC Name:
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
InChI:
InChI=1S/C9H10BrNO4S/c1-15-9(12)6-11-16(13,14)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChI Key:
RKMMKFPYCKUIAN-UHFFFAOYSA-N
SMILES:
COC(=O)CNS(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
330  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.951g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.146g/mol
Monoisotopic Mass:
306.951g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
2-(4-Bromo-benzene-sulfonamido)acetic acid. Acta crystallographica. Section E, Structure reports online 20090801
Methyl (4-bromo-benzene-sulfonamido)acetate. Acta crystallographica. Section E, Structure reports online 20081201
Properties