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Home > Boronic Acids > 216394-04-6

216394-04-6

216394-04-6 | (E)-(4-(2-Nitrovinyl)phenyl)boronic acid

CAS No: 216394-04-6 Catalog No: AG003C01 MDL No:MFCD01075748

Product Description

Catalog Number:
AG003C01
Chemical Name:
(E)-(4-(2-Nitrovinyl)phenyl)boronic acid
CAS Number:
216394-04-6
Molecular Formula:
C8H8BNO4
Molecular Weight:
192.9644
MDL Number:
MFCD01075748
IUPAC Name:
[4-[(E)-2-nitroethenyl]phenyl]boronic acid
InChI:
InChI=1S/C8H8BNO4/c11-9(12)8-3-1-7(2-4-8)5-6-10(13)14/h1-6,11-12H/b6-5+
InChI Key:
GMEGTAODWQPCOD-AATRIKPKSA-N
SMILES:
OB(c1ccc(cc1)/C=C/[N+](=O)[O-])O

Properties

Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
193.055g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
192.965g/mol
Monoisotopic Mass:
193.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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