Home Halogens Methyl 4,5-dibromo-1H-pyrazole-3-carboxylate

Methyl 4,5-dibromo-1H-pyrazole-3-carboxylate

CAS No.:
1092791-47-3
Catalog Number:
AG00948P
Molecular Formula:
C5H4Br2N2O2
Molecular Weight:
283.9055
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Product Description
Catalog Number:
AG00948P
Chemical Name:
Methyl 4,5-dibromo-1H-pyrazole-3-carboxylate
CAS Number:
1092791-47-3
Molecular Formula:
C5H4Br2N2O2
Molecular Weight:
283.9055
MDL Number:
MFCD23135916
IUPAC Name:
methyl 4,5-dibromo-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C5H4Br2N2O2/c1-11-5(10)3-2(6)4(7)9-8-3/h1H3,(H,8,9)
InChI Key:
NUJPLZBLMLUFFT-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Br)c(n[nH]1)Br
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.862g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.907g/mol
Monoisotopic Mass:
281.864g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties