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1256345-71-7 | Boronic acid, B-[2-[(methylsulfonyl)amino]-5-pyrimidinyl]-
CAS No: 1256345-71-7 Catalog No: AG000NZU MDL No:MFCD17015732
Product Description
Catalog Number:
AG000NZU
Chemical Name:
Boronic acid, B-[2-[(methylsulfonyl)amino]-5-pyrimidinyl]-
CAS Number:
1256345-71-7
Molecular Formula:
C5H8BN3O4S
Molecular Weight:
217.0107
MDL Number:
MFCD17015732
IUPAC Name:
[2-(methanesulfonamido)pyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C5H8BN3O4S/c1-14(12,13)9-5-7-2-4(3-8-5)6(10)11/h2-3,10-11H,1H3,(H,7,8,9)
InChI Key:
ALNRSVQRFABLDM-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)NS(=O)(=O)C)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
217.006g/mol
Monoisotopic Mass:
217.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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