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Home > Boronic Acids > 850568-57-9
850568-57-9 | (3-Nitro-4-isobutylphenyl)boronic acid
CAS No: 850568-57-9 Catalog No: AG004SHX MDL No:MFCD07363743
Product Description
Catalog Number:
AG004SHX
Chemical Name:
(3-Nitro-4-isobutylphenyl)boronic acid
CAS Number:
850568-57-9
Molecular Formula:
C10H14BNO4
Molecular Weight:
223.0335
MDL Number:
MFCD07363743
IUPAC Name:
[4-(2-methylpropyl)-3-nitrophenyl]boronic acid
InChI:
InChI=1S/C10H14BNO4/c1-7(2)5-8-3-4-9(11(13)14)6-10(8)12(15)16/h3-4,6-7,13-14H,5H2,1-2H3
InChI Key:
BXGWPVQZLGUZBZ-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1[N+](=O)[O-])B(O)O)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.035g/mol
Monoisotopic Mass:
223.102g/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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