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Home > Boronic Acids > 850567-99-6
850567-99-6 | Boronic acid,B-[3-[(1E)-2-nitroethenyl]phenyl]-
CAS No: 850567-99-6 Catalog No: AG004SIB MDL No:MFCD04115658
Product Description
Catalog Number:
AG004SIB
Chemical Name:
Boronic acid,B-[3-[(1E)-2-nitroethenyl]phenyl]-
CAS Number:
850567-99-6
Molecular Formula:
C8H8BNO4
Molecular Weight:
192.9644
MDL Number:
MFCD04115658
IUPAC Name:
[3-[(E)-2-nitroethenyl]phenyl]boronic acid
InChI:
InChI=1S/C8H8BNO4/c11-9(12)8-3-1-2-7(6-8)4-5-10(13)14/h1-6,11-12H/b5-4+
InChI Key:
WBBJYMBZMJTILK-SNAWJCMRSA-N
SMILES:
[O-][N+](=O)/C=C/c1cccc(c1)B(O)O
Properties
Complexity:
226
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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