Home Other Building Blocks 4-[(2-cyanoethyl)sulfamoyl]benzoic acid

4-[(2-cyanoethyl)sulfamoyl]benzoic acid

CAS No.:
851288-55-6
Catalog Number:
AG019NTP
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
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Product Description
Catalog Number:
AG019NTP
Chemical Name:
4-[(2-cyanoethyl)sulfamoyl]benzoic acid
CAS Number:
851288-55-6
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
MDL Number:
MFCD06378231
IUPAC Name:
4-(2-cyanoethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C10H10N2O4S/c11-6-1-7-12-17(15,16)9-4-2-8(3-5-9)10(13)14/h2-5,12H,1,7H2,(H,13,14)
InChI Key:
LBBVGCAARWCOPO-UHFFFAOYSA-N
SMILES:
N#CCCNS(=O)(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.036g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.26g/mol
Monoisotopic Mass:
254.036g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties