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114728-98-2 | Benzenesulfonic acid, 4-[(2,3-dibromo-1-oxopropyl)amino]-
CAS No: 114728-98-2 Catalog No: AG000F49 MDL No:
Product Description
Catalog Number:
AG000F49
Chemical Name:
Benzenesulfonic acid, 4-[(2,3-dibromo-1-oxopropyl)amino]-
CAS Number:
114728-98-2
Molecular Formula:
C9H9Br2NO4S
Molecular Weight:
387.0451
IUPAC Name:
4-(2,3-dibromopropanoylamino)benzenesulfonic acid
InChI:
InChI=1S/C9H9Br2NO4S/c10-5-8(11)9(13)12-6-1-3-7(4-2-6)17(14,15)16/h1-4,8H,5H2,(H,12,13)(H,14,15,16)
InChI Key:
VVXGCARXROXKBF-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)Nc1ccc(cc1)S(=O)(=O)O)Br
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.86g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.042g/mol
Monoisotopic Mass:
384.862g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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