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1242336-55-5 | Methanesulfonamide, N-(5-bromo-2-pyrimidinyl)-
CAS No: 1242336-55-5 Catalog No: AG000LQL MDL No:MFCD16660319
Product Description
Catalog Number:
AG000LQL
Chemical Name:
Methanesulfonamide, N-(5-bromo-2-pyrimidinyl)-
CAS Number:
1242336-55-5
Molecular Formula:
C5H6BrN3O2S
Molecular Weight:
252.0890
MDL Number:
MFCD16660319
IUPAC Name:
N-(5-bromopyrimidin-2-yl)methanesulfonamide
InChI:
InChI=1S/C5H6BrN3O2S/c1-12(10,11)9-5-7-2-4(6)3-8-5/h2-3H,1H3,(H,7,8,9)
InChI Key:
MRNXHECJHFQUDD-UHFFFAOYSA-N
SMILES:
Brc1cnc(nc1)NS(=O)(=O)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.936g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.086g/mol
Monoisotopic Mass:
250.936g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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