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Home > Boronic Acids > 957034-36-5
957034-36-5 | (4-(2-Nitroethyl)phenyl)boronic acid
CAS No: 957034-36-5 Catalog No: AG003BTZ MDL No:MFCD09258738
Product Description
Catalog Number:
AG003BTZ
Chemical Name:
(4-(2-Nitroethyl)phenyl)boronic acid
CAS Number:
957034-36-5
Molecular Formula:
C8H10BNO4
Molecular Weight:
194.9803
MDL Number:
MFCD09258738
IUPAC Name:
[4-(2-nitroethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H10BNO4/c11-9(12)8-3-1-7(2-4-8)5-6-10(13)14/h1-4,11-12H,5-6H2
InChI Key:
AJJHOWDNLQDXKT-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CC[N+](=O)[O-])O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.981g/mol
Monoisotopic Mass:
195.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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