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89782-97-8 | Sulfamic acid, (4-bromobenzoyl)-
CAS No: 89782-97-8 Catalog No: AG00408V MDL No:
Product Description
Catalog Number:
AG00408V
Chemical Name:
Sulfamic acid, (4-bromobenzoyl)-
CAS Number:
89782-97-8
Molecular Formula:
C7H6BrNO4S
Molecular Weight:
280.0958
IUPAC Name:
(4-bromobenzoyl)sulfamic acid
InChI:
InChI=1S/C7H6BrNO4S/c8-6-3-1-5(2-4-6)7(10)9-14(11,12)13/h1-4H,(H,9,10)(H,11,12,13)
InChI Key:
NXFPZTXBZQSDHC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)NS(=O)(=O)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.92g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.092g/mol
Monoisotopic Mass:
278.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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