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Home > Boronic Acids > 1228431-85-3
1228431-85-3 | Boronic acid, B-(2-chloro-4-pyrimidinyl)-
CAS No: 1228431-85-3 Catalog No: AG000JKP MDL No:MFCD08703257
Product Description
Catalog Number:
AG000JKP
Chemical Name:
Boronic acid, B-(2-chloro-4-pyrimidinyl)-
CAS Number:
1228431-85-3
Molecular Formula:
C4H4BClN2O2
Molecular Weight:
158.3508
MDL Number:
MFCD08703257
IUPAC Name:
(2-chloropyrimidin-4-yl)boronic acid
InChI:
InChI=1S/C4H4BClN2O2/c6-4-7-2-1-3(8-4)5(9)10/h1-2,9-10H
InChI Key:
XGJRTXXCLIIXKK-UHFFFAOYSA-N
SMILES:
Clc1nccc(n1)B(O)O
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.005g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.348g/mol
Monoisotopic Mass:
158.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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