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Home > Boronic Acids > 380427-38-3
380427-38-3 | 4-ISOPROPYLTHIOPHENYLBORONIC ACID
CAS No: 380427-38-3 Catalog No: AG00BYGM MDL No:MFCD03411947
Product Description
Catalog Number:
AG00BYGM
Chemical Name:
4-ISOPROPYLTHIOPHENYLBORONIC ACID
CAS Number:
380427-38-3
Molecular Formula:
C9H13BO2S
Molecular Weight:
196.0743
MDL Number:
MFCD03411947
IUPAC Name:
(4-propan-2-ylsulfanylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO2S/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3
InChI Key:
FYJDSWBEPMIWEC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)SC(C)C)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.071g/mol
Monoisotopic Mass:
196.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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