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Home > Bromides > 1262415-66-6
1262415-66-6 | 1H-Pyrazole-3-carboxylic acid, 4-bromo-5-methyl-1-(phenylmethyl)-, ethyl ester
CAS No: 1262415-66-6 Catalog No: AG000SET MDL No:MFCD19443879
Product Description
Catalog Number:
AG000SET
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-bromo-5-methyl-1-(phenylmethyl)-, ethyl ester
CAS Number:
1262415-66-6
Molecular Formula:
C14H15BrN2O2
Molecular Weight:
323.1851
MDL Number:
MFCD19443879
IUPAC Name:
ethyl 1-benzyl-4-bromo-5-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C14H15BrN2O2/c1-3-19-14(18)13-12(15)10(2)17(16-13)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChI Key:
IPAVGAOABAMSIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1Br)C)Cc1ccccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.19g/mol
Monoisotopic Mass:
322.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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