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Home > Boronic Acids > 889672-72-4
889672-72-4 | 2-Chlorothiazole-5-boronic acid pinacol ester
CAS No: 889672-72-4 Catalog No: AG00IFIX MDL No:MFCD10697441
Product Description
Catalog Number:
AG00IFIX
Chemical Name:
2-Chlorothiazole-5-boronic acid pinacol ester
CAS Number:
889672-72-4
Molecular Formula:
C9H13BClNO2S
Molecular Weight:
245.5340
MDL Number:
MFCD10697441
IUPAC Name:
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
InChI:
InChI=1S/C9H13BClNO2S/c1-8(2)9(3,4)14-10(13-8)6-5-12-7(11)15-6/h5H,1-4H3
InChI Key:
UAXMSLFTXSRLPV-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc(s1)Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.528g/mol
Monoisotopic Mass:
245.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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