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Home > Bromides > 1269293-69-7
1269293-69-7 | 1H-Pyrazole, 1-(4-bromophenyl)-5-(dimethoxymethyl)-
CAS No: 1269293-69-7 Catalog No: AG000WEC MDL No:MFCD20275376
Product Description
Catalog Number:
AG000WEC
Chemical Name:
1H-Pyrazole, 1-(4-bromophenyl)-5-(dimethoxymethyl)-
CAS Number:
1269293-69-7
Molecular Formula:
C12H13BrN2O2
Molecular Weight:
297.1478
MDL Number:
MFCD20275376
IUPAC Name:
1-(4-bromophenyl)-5-(dimethoxymethyl)pyrazole
InChI:
InChI=1S/C12H13BrN2O2/c1-16-12(17-2)11-7-8-14-15(11)10-5-3-9(13)4-6-10/h3-8,12H,1-2H3
InChI Key:
QPNZOBGETXYJFM-UHFFFAOYSA-N
SMILES:
COC(c1ccnn1c1ccc(cc1)Br)OC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.152g/mol
Monoisotopic Mass:
296.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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