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Home > Bromides > 1137165-23-1
1137165-23-1 | 1H-Pyrazole-3-methanol, 5-(4-bromophenyl)-
CAS No: 1137165-23-1 Catalog No: AG0009G3 MDL No:
Product Description
Catalog Number:
AG0009G3
Chemical Name:
1H-Pyrazole-3-methanol, 5-(4-bromophenyl)-
CAS Number:
1137165-23-1
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
IUPAC Name:
[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanol
InChI:
InChI=1S/C10H9BrN2O/c11-8-3-1-7(2-4-8)10-5-9(6-14)12-13-10/h1-5,14H,6H2,(H,12,13)
InChI Key:
MCTMTUILSSSFAH-UHFFFAOYSA-N
SMILES:
OCc1n[nH]c(c1)c1ccc(cc1)Br
Properties
Complexity:
183
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:
2
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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