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87963-51-7 | 2,5-Cyclohexadiene-1,4-diol, 1,4-diamino-2,3,5-trichloro-
CAS No: 87963-51-7 Catalog No: AG004D44 MDL No:
Product Description
Catalog Number:
AG004D44
Chemical Name:
2,5-Cyclohexadiene-1,4-diol, 1,4-diamino-2,3,5-trichloro-
CAS Number:
87963-51-7
Molecular Formula:
C6H7Cl3N2O2
Molecular Weight:
245.4910
IUPAC Name:
1,4-diamino-2,3,5-trichlorocyclohexa-2,5-diene-1,4-diol
InChI:
InChI=1S/C6H7Cl3N2O2/c7-2-1-5(10,12)3(8)4(9)6(2,11)13/h1,12-13H,10-11H2
InChI Key:
VGULYYHKQFZLFG-UHFFFAOYSA-N
SMILES:
ClC1=C(Cl)C(N)(O)C(=CC1(N)O)Cl
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.957g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.484g/mol
Monoisotopic Mass:
243.957g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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