Home Halogens 1H-Pyrazole-3-carboxylic acid, 5-(bromomethyl)-1-methyl-, methyl ester

1H-Pyrazole-3-carboxylic acid, 5-(bromomethyl)-1-methyl-, methyl ester

CAS No.:
878744-22-0
Catalog Number:
AG00IET3
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
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Product Description
Catalog Number:
AG00IET3
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(bromomethyl)-1-methyl-, methyl ester
CAS Number:
878744-22-0
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
MDL Number:
MFCD21362488
IUPAC Name:
methyl 5-(bromomethyl)-1-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H9BrN2O2/c1-10-5(4-8)3-6(9-10)7(11)12-2/h3H,4H2,1-2H3
InChI Key:
XPUITOYPHIBAKN-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1CBr)C(=O)OC
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  
Properties