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Home > Boronic Acids > 78887-37-3
78887-37-3 | (3-Acetamido-4-nitrophenyl);boronic acid
CAS No: 78887-37-3 Catalog No: AG003ISL MDL No:MFCD12025959
Product Description
Catalog Number:
AG003ISL
Chemical Name:
(3-Acetamido-4-nitrophenyl);boronic acid
CAS Number:
78887-37-3
Molecular Formula:
C8H9BN2O5
Molecular Weight:
223.9785
MDL Number:
MFCD12025959
IUPAC Name:
(3-acetamido-4-nitrophenyl)boronic acid
InChI:
InChI=1S/C8H9BN2O5/c1-5(12)10-7-4-6(9(13)14)2-3-8(7)11(15)16/h2-4,13-14H,1H3,(H,10,12)
InChI Key:
ADVXLCMYNUPALJ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(ccc1[N+](=O)[O-])B(O)O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.979g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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