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102170-51-4 | Boronic acid, [3-(aminocarbonyl)-5-nitrophenyl]- (9CI)
CAS No: 102170-51-4 Catalog No: AG0006S8 MDL No:MFCD07783870
Product Description
Catalog Number:
AG0006S8
Chemical Name:
Boronic acid, [3-(aminocarbonyl)-5-nitrophenyl]- (9CI)
CAS Number:
102170-51-4
Molecular Formula:
C7H7BN2O5
Molecular Weight:
209.9519
MDL Number:
MFCD07783870
IUPAC Name:
(3-carbamoyl-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C7H7BN2O5/c9-7(11)4-1-5(8(12)13)3-6(2-4)10(14)15/h1-3,12-13H,(H2,9,11)
InChI Key:
XELWZRCEJDUTEC-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)C(=O)N)[N+](=O)[O-])O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
209.952g/mol
Monoisotopic Mass:
210.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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