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130018-56-3 | Benzenesulfonic acid, 4-nitro-, 2-bromopropyl ester
CAS No: 130018-56-3 Catalog No: AG000TX5 MDL No:
Product Description
Catalog Number:
AG000TX5
Chemical Name:
Benzenesulfonic acid, 4-nitro-, 2-bromopropyl ester
CAS Number:
130018-56-3
Molecular Formula:
C9H10BrNO5S
Molecular Weight:
324.1484
IUPAC Name:
2-bromopropyl 4-nitrobenzenesulfonate
InChI:
InChI=1S/C9H10BrNO5S/c1-7(10)6-16-17(14,15)9-4-2-8(3-5-9)11(12)13/h2-5,7H,6H2,1H3
InChI Key:
PVKYEHUUUAGNSN-UHFFFAOYSA-N
SMILES:
CC(COS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])Br
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.946g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.145g/mol
Monoisotopic Mass:
322.946g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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