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1158259-09-6 | Benzoic acid, 2,5-diamino-, hydrochloride (1:2)
CAS No: 1158259-09-6 Catalog No: AG000GXC MDL No:MFCD01596222
Product Description
Catalog Number:
AG000GXC
Chemical Name:
Benzoic acid, 2,5-diamino-, hydrochloride (1:2)
CAS Number:
1158259-09-6
Molecular Formula:
C7H10Cl2N2O2
Molecular Weight:
225.0725
MDL Number:
MFCD01596222
IUPAC Name:
2,5-diaminobenzoic acid;dihydrochloride
InChI:
InChI=1S/C7H8N2O2.2ClH/c8-4-1-2-6(9)5(3-4)7(10)11;;/h1-3H,8-9H2,(H,10,11);2*1H
InChI Key:
DYYLTSSEVZXCSY-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C(=O)O)N.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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