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1434128-50-3 | METHYL 1-BENZYL-5-BROMOPYRAZOLE-3-CARBOXYLATE
CAS No: 1434128-50-3 Catalog No: AG003RJY MDL No:MFCD24842550
Product Description
Catalog Number:
AG003RJY
Chemical Name:
METHYL 1-BENZYL-5-BROMOPYRAZOLE-3-CARBOXYLATE
CAS Number:
1434128-50-3
Molecular Formula:
C12H11BrN2O2
Molecular Weight:
295.1319
MDL Number:
MFCD24842550
IUPAC Name:
methyl 1-benzyl-5-bromopyrazole-3-carboxylate
InChI:
InChI=1S/C12H11BrN2O2/c1-17-12(16)10-7-11(13)15(14-10)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChI Key:
POFVKPQKDSYBEY-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c(c1)Br)Cc1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.136g/mol
Monoisotopic Mass:
294g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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