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Home > Bromides > 1020236-42-3
1020236-42-3 | 1H-Pyrazole-3-carboxylic acid, 5-(4-bromophenyl)-1-(phenylmethyl)-, ethyl ester
CAS No: 1020236-42-3 Catalog No: AG0006D0 MDL No:
Product Description
Catalog Number:
AG0006D0
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(4-bromophenyl)-1-(phenylmethyl)-, ethyl ester
CAS Number:
1020236-42-3
Molecular Formula:
C19H17BrN2O2
Molecular Weight:
385.2545
IUPAC Name:
ethyl 1-benzyl-5-(4-bromophenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C19H17BrN2O2/c1-2-24-19(23)17-12-18(15-8-10-16(20)11-9-15)22(21-17)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3
InChI Key:
OFZQCMDNTFHFQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)c1ccc(cc1)Br)Cc1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.047g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.261g/mol
Monoisotopic Mass:
384.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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