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830319-68-1 | 2-Pyrrolidinol, 1-[(2-bromophenyl)sulfonyl]-
CAS No: 830319-68-1 Catalog No: AG004YBO MDL No:
Product Description
Catalog Number:
AG004YBO
Chemical Name:
2-Pyrrolidinol, 1-[(2-bromophenyl)sulfonyl]-
CAS Number:
830319-68-1
Molecular Formula:
C10H12BrNO3S
Molecular Weight:
306.1762
IUPAC Name:
1-(2-bromophenyl)sulfonylpyrrolidin-2-ol
InChI:
InChI=1S/C10H12BrNO3S/c11-8-4-1-2-5-9(8)16(14,15)12-7-3-6-10(12)13/h1-2,4-5,10,13H,3,6-7H2
InChI Key:
WYFUBDSQINYBJX-UHFFFAOYSA-N
SMILES:
OC1CCCN1S(=O)(=O)c1ccccc1Br
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.972g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.174g/mol
Monoisotopic Mass:
304.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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