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Home > Boronic Acids > 871332-90-0
871332-90-0 | (3-(Benzylcarbamoyl)-5-nitrophenyl)boronic acid
CAS No: 871332-90-0 Catalog No: AG004OF4 MDL No:MFCD07783882
Product Description
Catalog Number:
AG004OF4
Chemical Name:
(3-(Benzylcarbamoyl)-5-nitrophenyl)boronic acid
CAS Number:
871332-90-0
Molecular Formula:
C14H13BN2O5
Molecular Weight:
300.0744
MDL Number:
MFCD07783882
IUPAC Name:
[3-(benzylcarbamoyl)-5-nitrophenyl]boronic acid
InChI:
InChI=1S/C14H13BN2O5/c18-14(16-9-10-4-2-1-3-5-10)11-6-12(15(19)20)8-13(7-11)17(21)22/h1-8,19-20H,9H2,(H,16,18)
InChI Key:
XZIKQHJBSBUSGP-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)NCc1ccccc1)O
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.092g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.077g/mol
Monoisotopic Mass:
300.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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