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1269293-48-2

1269293-48-2 | 1H-Pyrazole-3-carboxylic acid, 5-bromo-1-methyl-, ethyl ester

CAS No: 1269293-48-2 Catalog No: AG000WDA MDL No:MFCD17168482

Product Description

Catalog Number:
AG000WDA
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-bromo-1-methyl-, ethyl ester
CAS Number:
1269293-48-2
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
MDL Number:
MFCD17168482
IUPAC Name:
ethyl 5-bromo-1-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H9BrN2O2/c1-3-12-7(11)5-4-6(8)10(2)9-5/h4H,3H2,1-2H3
InChI Key:
AZFAPSHASGINRH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)Br)C

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.985g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.065g/mol
Monoisotopic Mass:
231.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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