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Home > Bromides > 1395896-55-5
1395896-55-5 | Phenol, 4-bromo-2-(5-methyl-1H-pyrazol-1-yl)-
CAS No: 1395896-55-5 Catalog No: AG001BB7 MDL No:
Product Description
Catalog Number:
AG001BB7
Chemical Name:
Phenol, 4-bromo-2-(5-methyl-1H-pyrazol-1-yl)-
CAS Number:
1395896-55-5
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
IUPAC Name:
4-bromo-2-(5-methylpyrazol-1-yl)phenol
InChI:
InChI=1S/C10H9BrN2O/c1-7-4-5-12-13(7)9-6-8(11)2-3-10(9)14/h2-6,14H,1H3
InChI Key:
FQZZZBBHZFSNNW-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)n1nccc1C)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.99g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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