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189894-82-4

189894-82-4 | Benzoic acid, 2-amino-, 2,4,6-trinitrophenol (2:1)

CAS No: 189894-82-4 Catalog No: AG002E3N MDL No:

Product Description

Catalog Number:
AG002E3N
Chemical Name:
Benzoic acid, 2-amino-, 2,4,6-trinitrophenol (2:1)
CAS Number:
189894-82-4
IUPAC Name:
2-aminobenzoic acid;2,4,6-trinitrophenol
InChI:
InChI=1S/2C7H7NO2.C6H3N3O7/c2*8-6-4-2-1-3-5(6)7(9)10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2*1-4H,8H2,(H,9,10);1-2,10H
InChI Key:
QUUTVLGSQWYCBJ-UHFFFAOYSA-N

Properties

Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.092g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
503.38g/mol
Monoisotopic Mass:
503.092g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
284A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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