Benzoic acid, 3-amino-5-borono-


Chemical Name: Benzoic acid, 3-amino-5-borono-
CAS Number: 116378-40-6
Product Number: AG000CCG(AGN-PC-0KK8RK)
Synonyms:
MDL No:
Molecular Formula: C7H8BNO4
Molecular Weight: 180.9537

Identification/Properties


Computed Properties
Molecular Weight:
180.954g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
181.055g/mol
Monoisotopic Mass:
181.055g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
199
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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