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61566-58-3 | 2,4-Diaminobenzoic acid dihydrochloride
CAS No: 61566-58-3 Catalog No: AG003FPB MDL No:MFCD03844784
Product Description
Catalog Number:
AG003FPB
Chemical Name:
2,4-Diaminobenzoic acid dihydrochloride
CAS Number:
61566-58-3
Molecular Formula:
C7H10Cl2N2O2
Molecular Weight:
225.0725
MDL Number:
MFCD03844784
IUPAC Name:
2,4-diaminobenzoic acid;dihydrochloride
InChI:
InChI=1S/C7H8N2O2.2ClH/c8-4-1-2-5(7(10)11)6(9)3-4;;/h1-3H,8-9H2,(H,10,11);2*1H
InChI Key:
LAVHFNVUGYKNGS-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)N)C(=O)O.Cl.Cl
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
225.069g/mol
Monoisotopic Mass:
224.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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