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Home > Boronic Acids > 957060-76-3
957060-76-3 | 2-(4-BORONOBENZOYL)HYDRAZINECARBOTHIOAMIDE
CAS No: 957060-76-3 Catalog No: AG006BSG MDL No:MFCD09027244
Product Description
Catalog Number:
AG006BSG
Chemical Name:
2-(4-BORONOBENZOYL)HYDRAZINECARBOTHIOAMIDE
CAS Number:
957060-76-3
Molecular Formula:
C8H10BN3O3S
Molecular Weight:
239.0593
MDL Number:
MFCD09027244
IUPAC Name:
[4-[(carbamothioylamino)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C8H10BN3O3S/c10-8(16)12-11-7(13)5-1-3-6(4-2-5)9(14)15/h1-4,14-15H,(H,11,13)(H3,10,12,16)
InChI Key:
NVXNXTLWXKMYHB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NNC(=S)N)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
239.056g/mol
Monoisotopic Mass:
239.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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