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16523-31-2 | 1,3-Benzenediol, 4,6-diamino-, hydrochloride (1:2)
CAS No: 16523-31-2 Catalog No: AG001W00 MDL No:MFCD00143239
Product Description
Catalog Number:
AG001W00
Chemical Name:
1,3-Benzenediol, 4,6-diamino-, hydrochloride (1:2)
CAS Number:
16523-31-2
Molecular Formula:
C6H10Cl2N2O2
Molecular Weight:
213.0618
MDL Number:
MFCD00143239
IUPAC Name:
4,6-diaminobenzene-1,3-diol;dihydrochloride
InChI:
InChI=1S/C6H8N2O2.2ClH/c7-3-1-4(8)6(10)2-5(3)9;;/h1-2,9-10H,7-8H2;2*1H
InChI Key:
KUMOYHHELWKOCB-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(cc1N)N.Cl.Cl
EC Number:
605-395-9
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
213.058g/mol
Monoisotopic Mass:
212.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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