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830319-77-2 | Pyridine, 1-[(2-bromophenyl)sulfonyl]-1,2,3,4-tetrahydro-
CAS No: 830319-77-2 Catalog No: AG0053HU MDL No:
Product Description
Catalog Number:
AG0053HU
Chemical Name:
Pyridine, 1-[(2-bromophenyl)sulfonyl]-1,2,3,4-tetrahydro-
CAS Number:
830319-77-2
Molecular Formula:
C11H12BrNO2S
Molecular Weight:
302.1875
IUPAC Name:
1-(2-bromophenyl)sulfonyl-3,4-dihydro-2H-pyridine
InChI:
InChI=1S/C11H12BrNO2S/c12-10-6-2-3-7-11(10)16(14,15)13-8-4-1-5-9-13/h2-4,6-8H,1,5,9H2
InChI Key:
ZXGVHALIVNZQBT-UHFFFAOYSA-N
SMILES:
Brc1ccccc1S(=O)(=O)N1CCCC=C1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.977g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.186g/mol
Monoisotopic Mass:
300.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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