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Home > Boronic Acids > 912331-27-2
912331-27-2 | 3-Methyl-benzo[b]thiophene-2-boronic acid
CAS No: 912331-27-2 Catalog No: AG00GV0A MDL No:MFCD08706273
Product Description
Catalog Number:
AG00GV0A
Chemical Name:
3-Methyl-benzo[b]thiophene-2-boronic acid
CAS Number:
912331-27-2
Molecular Formula:
C9H9BO2S
Molecular Weight:
192.0426
MDL Number:
MFCD08706273
IUPAC Name:
(3-methyl-1-benzothiophen-2-yl)boronic acid
InChI:
InChI=1S/C9H9BO2S/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5,11-12H,1H3
InChI Key:
CSWLIEDSUBZBDL-UHFFFAOYSA-N
SMILES:
OB(c1sc2c(c1C)cccc2)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.039g/mol
Monoisotopic Mass:
192.042g/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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