Home Halogens methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate

methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate

CAS No.:
1007517-46-5
Catalog Number:
AG008VKT
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
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Product Description
Catalog Number:
AG008VKT
Chemical Name:
methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate
CAS Number:
1007517-46-5
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
MDL Number:
MFCD08701079
IUPAC Name:
methyl 3-(4-bromopyrazol-1-yl)propanoate
InChI:
InChI=1S/C7H9BrN2O2/c1-12-7(11)2-3-10-5-6(8)4-9-10/h4-5H,2-3H2,1H3
InChI Key:
HIBCHSRWJQMUTN-UHFFFAOYSA-N
SMILES:
COC(=O)CCn1cc(cn1)Br
Properties
Complexity:
166  
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:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties