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88078-58-4 | Sulfamoyl chloride, [[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]-
CAS No: 88078-58-4 Catalog No: AG004HPC MDL No:
Product Description
Catalog Number:
AG004HPC
Chemical Name:
Sulfamoyl chloride, [[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]-
CAS Number:
88078-58-4
Molecular Formula:
C7H9ClN4O3S
Molecular Weight:
264.6894
IUPAC Name:
N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl chloride
InChI:
InChI=1S/C7H9ClN4O3S/c1-4-3-5(2)10-6(9-4)11-7(13)12-16(8,14)15/h3H,1-2H3,(H2,9,10,11,12,13)
InChI Key:
QZGDGYXESDKHFW-UHFFFAOYSA-N
SMILES:
O=C(NS(=O)(=O)Cl)Nc1nc(C)cc(n1)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.684g/mol
Monoisotopic Mass:
264.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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