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129278-09-7 | Naphthalene, 1-bromo-4-(phenylsulfonyl)-
CAS No: 129278-09-7 Catalog No: AG000Z1U MDL No:
Product Description
Catalog Number:
AG000Z1U
Chemical Name:
Naphthalene, 1-bromo-4-(phenylsulfonyl)-
CAS Number:
129278-09-7
Molecular Formula:
C16H11BrO2S
Molecular Weight:
347.2263
IUPAC Name:
1-(benzenesulfonyl)-4-bromonaphthalene
InChI:
InChI=1S/C16H11BrO2S/c17-15-10-11-16(14-9-5-4-8-13(14)15)20(18,19)12-6-2-1-3-7-12/h1-11H
InChI Key:
GZGLFGBHQRYPHX-UHFFFAOYSA-N
SMILES:
Brc1ccc(c2c1cccc2)S(=O)(=O)c1ccccc1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.966g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.226g/mol
Monoisotopic Mass:
345.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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