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Home > Boronic Acids > 850589-35-4
850589-35-4 | 4-Boronophenylthiocarboxamide
CAS No: 850589-35-4 Catalog No: AG00IDIU MDL No:MFCD22115338
Product Description
Catalog Number:
AG00IDIU
Chemical Name:
4-Boronophenylthiocarboxamide
CAS Number:
850589-35-4
MDL Number:
MFCD22115338
IUPAC Name:
(4-carbamothioylphenyl)boronic acid
InChI:
InChI=1S/C7H8BNO2S/c9-7(12)5-1-3-6(4-2-5)8(10)11/h1-4,10-11H,(H2,9,12)
InChI Key:
BZXPJWPWXCURIQ-UHFFFAOYSA-N
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.037g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.016g/mol
Monoisotopic Mass:
181.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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