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288401-33-2 | Methanone, (3,5-dibromo-2-hydroxyphenyl)-1H-pyrazol-4-yl-
CAS No: 288401-33-2 Catalog No: AG002WSC MDL No:
Product Description
Catalog Number:
AG002WSC
Chemical Name:
Methanone, (3,5-dibromo-2-hydroxyphenyl)-1H-pyrazol-4-yl-
CAS Number:
288401-33-2
Molecular Formula:
C10H6Br2N2O2
Molecular Weight:
345.9748
IUPAC Name:
(3,5-dibromo-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone
InChI:
InChI=1S/C10H6Br2N2O2/c11-6-1-7(10(16)8(12)2-6)9(15)5-3-13-14-4-5/h1-4,16H,(H,13,14)
InChI Key:
ZPZMRQHEHWZTER-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)C(=O)c1cn[nH]c1)O
Properties
Complexity:
278
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:
3.1
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