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Home > Boronic Acids > 141817-11-0
141817-11-0 | Boronic acid, (4-isothiocyanatophenyl)- (9CI)
CAS No: 141817-11-0 Catalog No: AG001H8R MDL No:
Product Description
Catalog Number:
AG001H8R
Chemical Name:
Boronic acid, (4-isothiocyanatophenyl)- (9CI)
CAS Number:
141817-11-0
Molecular Formula:
C7H6BNO2S
Molecular Weight:
179.0040
IUPAC Name:
(4-isothiocyanatophenyl)boronic acid
InChI:
InChI=1S/C7H6BNO2S/c10-8(11)6-1-3-7(4-2-6)9-5-12/h1-4,10-11H
InChI Key:
PUXAUJVSPQOGNN-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N=C=S)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.021g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179g/mol
Monoisotopic Mass:
179.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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