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Home > Boronic Acids > 1133931-02-8

1133931-02-8

1133931-02-8 | Boronic acid, B-(4-chloro-2-thienyl)-

CAS No: 1133931-02-8 Catalog No: AG0008E6 MDL No:MFCD03095139

Product Description

Catalog Number:
AG0008E6
Chemical Name:
Boronic acid, B-(4-chloro-2-thienyl)-
CAS Number:
1133931-02-8
Molecular Formula:
C4H4BClO2S
Molecular Weight:
162.4024
MDL Number:
MFCD03095139
IUPAC Name:
(4-chlorothiophen-2-yl)boronic acid
InChI:
InChI=1S/C4H4BClO2S/c6-3-1-4(5(7)8)9-2-3/h1-2,7-8H
InChI Key:
YMNZWJFZOOKLRS-UHFFFAOYSA-N
SMILES:
OB(c1scc(c1)Cl)O

Properties

Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.971g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.394g/mol
Monoisotopic Mass:
161.971g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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