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1171535-98-0 | Ethyl 4-Bromo-5-methyl-1-phenylpyrazole-3-carboxylate
CAS No: 1171535-98-0 Catalog No: AG01F2JP MDL No:
Product Description
Catalog Number:
AG01F2JP
Chemical Name:
Ethyl 4-Bromo-5-methyl-1-phenylpyrazole-3-carboxylate
CAS Number:
1171535-98-0
Molecular Formula:
C13H13BrN2O2
Molecular Weight:
309.1585
IUPAC Name:
ethyl 4-bromo-5-methyl-1-phenylpyrazole-3-carboxylate
InChI:
InChI=1S/C13H13BrN2O2/c1-3-18-13(17)12-11(14)9(2)16(15-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChI Key:
VBUCVTTXWYINIB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1Br)C)c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.163g/mol
Monoisotopic Mass:
308.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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