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Home > Boronic Acids > 871332-87-5
871332-87-5 | (3-(tert-Butylcarbamoyl)-5-nitrophenyl)boronic acid
CAS No: 871332-87-5 Catalog No: AG008FB8 MDL No:MFCD07783879
Product Description
Catalog Number:
AG008FB8
Chemical Name:
(3-(tert-Butylcarbamoyl)-5-nitrophenyl)boronic acid
CAS Number:
871332-87-5
Molecular Formula:
C11H15BN2O5
Molecular Weight:
266.0582
MDL Number:
MFCD07783879
IUPAC Name:
[3-(tert-butylcarbamoyl)-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C11H15BN2O5/c1-11(2,3)13-10(15)7-4-8(12(16)17)6-9(5-7)14(18)19/h4-6,16-17H,1-3H3,(H,13,15)
InChI Key:
OUMNTSXALLQRLY-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)NC(C)(C)C)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.06g/mol
Monoisotopic Mass:
266.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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