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100449-87-4 | Boronic acid, (5-amino-2-nitrophenyl)- (9CI)
CAS No: 100449-87-4 Catalog No: AG0001ZX MDL No:MFCD04117889
Product Description
Catalog Number:
AG0001ZX
Chemical Name:
Boronic acid, (5-amino-2-nitrophenyl)- (9CI)
CAS Number:
100449-87-4
Molecular Formula:
C6H7BN2O4
Molecular Weight:
181.9418
MDL Number:
MFCD04117889
IUPAC Name:
(5-amino-2-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H7BN2O4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3,10-11H,8H2
InChI Key:
SOGZRTRWKVMXPM-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)B(O)O)[N+](=O)[O-]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.942g/mol
Monoisotopic Mass:
182.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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