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Home > Boronic Acids > 1072946-17-8

1072946-17-8

1072946-17-8 | 3-(3-Methylthioureido)phenylboronic acid

CAS No: 1072946-17-8 Catalog No: AG0090EP MDL No:MFCD09972118

Product Description

Catalog Number:
AG0090EP
Chemical Name:
3-(3-Methylthioureido)phenylboronic acid
CAS Number:
1072946-17-8
Molecular Formula:
C8H11BN2O2S
Molecular Weight:
210.0611
MDL Number:
MFCD09972118
IUPAC Name:
[3-(methylcarbamothioylamino)phenyl]boronic acid
InChI:
InChI=1S/C8H11BN2O2S/c1-10-8(14)11-7-4-2-3-6(5-7)9(12)13/h2-5,12-13H,1H3,(H2,10,11,14)
InChI Key:
BRXUVOXFWKMDPA-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1cccc(c1)B(O)O

Properties

Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
210.058g/mol
Monoisotopic Mass:
210.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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