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123834-57-1 | 1,4-Benzenediol, 2,3-bis(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS No: 123834-57-1 Catalog No: AG000L53 MDL No:
Product Description
Catalog Number:
AG000L53
Chemical Name:
1,4-Benzenediol, 2,3-bis(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS Number:
123834-57-1
Molecular Formula:
C16H18N4O2
Molecular Weight:
298.3397
IUPAC Name:
2,3-bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol
InChI:
InChI=1S/C16H18N4O2/c1-9-7-11(3)19(17-9)15-13(21)5-6-14(22)16(15)20-12(4)8-10(2)18-20/h5-8,21-22H,1-4H3
InChI Key:
GXEOMTLNPFCXRA-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1n1nc(cc1C)C)n1nc(cc1C)C)O
NSC Number:
645988
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.143g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.346g/mol
Monoisotopic Mass:
298.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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