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87967-80-4 | 1H-Pyrazole-4-carboxaldehyde, 3-(3,5-dibromo-2-hydroxyphenyl)-
CAS No: 87967-80-4 Catalog No: AG004FZ8 MDL No:
Product Description
Catalog Number:
AG004FZ8
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(3,5-dibromo-2-hydroxyphenyl)-
CAS Number:
87967-80-4
Molecular Formula:
C10H6Br2N2O2
Molecular Weight:
345.9748
IUPAC Name:
5-(3,5-dibromo-2-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C10H6Br2N2O2/c11-6-1-7(10(16)8(12)2-6)9-5(4-15)3-13-14-9/h1-4,16H,(H,13,14)
InChI Key:
DUBBHCFXHKQQSN-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1cc(Br)cc(c1O)Br
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.878g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.978g/mol
Monoisotopic Mass:
343.88g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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