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Home > Boronic Acids > 21157-02-8
21157-02-8 | 3-FORMYL-5-NITRO-2-THIOPHENEBORONIC ACID
CAS No: 21157-02-8 Catalog No: AG006Z36 MDL No:
Product Description
Catalog Number:
AG006Z36
Chemical Name:
3-FORMYL-5-NITRO-2-THIOPHENEBORONIC ACID
CAS Number:
21157-02-8
Molecular Formula:
C5H4BNO5S
Molecular Weight:
200.9650
IUPAC Name:
(3-formyl-5-nitrothiophen-2-yl)boronic acid
InChI:
InChI=1S/C5H4BNO5S/c8-2-3-1-4(7(11)12)13-5(3)6(9)10/h1-2,9-10H
InChI Key:
ZFBAIZVZSIQWNZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(sc1B(O)O)[N+](=O)[O-]
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.959g/mol
Monoisotopic Mass:
200.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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