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Home > Boronic Acids > 1340599-91-8
1340599-91-8 | (7-methyl-1-benzothiophen-2-yl)boronic acid
CAS No: 1340599-91-8 Catalog No: AG01A8HC MDL No:MFCD16699454
Product Description
Catalog Number:
AG01A8HC
Chemical Name:
(7-methyl-1-benzothiophen-2-yl)boronic acid
CAS Number:
1340599-91-8
Molecular Formula:
C9H9BO2S
Molecular Weight:
192.0426
MDL Number:
MFCD16699454
IUPAC Name:
(7-methyl-1-benzothiophen-2-yl)boronic acid
InChI:
InChI=1S/C9H9BO2S/c1-6-3-2-4-7-5-8(10(11)12)13-9(6)7/h2-5,11-12H,1H3
InChI Key:
VVGBIBABFLRFRZ-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(s1)c(C)ccc2)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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