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Home > Boronic Acids > 133887-74-8
133887-74-8 | 3-ISOTHIOCYANATOPHENYLBORONIC ACID
CAS No: 133887-74-8 Catalog No: AG00807R MDL No:MFCD00467363
Product Description
Catalog Number:
AG00807R
Chemical Name:
3-ISOTHIOCYANATOPHENYLBORONIC ACID
CAS Number:
133887-74-8
Molecular Formula:
C7H6BNO2S
Molecular Weight:
179.0040
MDL Number:
MFCD00467363
IUPAC Name:
(3-isothiocyanatophenyl)boronic acid
InChI:
InChI=1S/C7H6BNO2S/c10-8(11)6-2-1-3-7(4-6)9-5-12/h1-4,10-11H
InChI Key:
LWXRUUUFDMOXSI-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc(c1)B(O)O
Properties
Complexity:
194
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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