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Home > Boronic Acids > 1217501-03-5
1217501-03-5 | Boronic acid, B-[4-[(cyclopropylmethyl)thio]phenyl]-
CAS No: 1217501-03-5 Catalog No: AG0015RL MDL No:MFCD12546550
Product Description
Catalog Number:
AG0015RL
Chemical Name:
Boronic acid, B-[4-[(cyclopropylmethyl)thio]phenyl]-
CAS Number:
1217501-03-5
Molecular Formula:
C10H13BO2S
Molecular Weight:
208.0850
MDL Number:
MFCD12546550
IUPAC Name:
[4-(cyclopropylmethylsulfanyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BO2S/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8,12-13H,1-2,7H2
InChI Key:
SKUDUPVJZBDKND-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)SCC1CC1)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.082g/mol
Monoisotopic Mass:
208.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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