Home Halogens 3,5-dibromo-1H-pyrazole-4-carboxylic acid

3,5-dibromo-1H-pyrazole-4-carboxylic acid

CAS No.:
98026-81-4
Catalog Number:
AG01DWXO
Molecular Formula:
C4H2Br2N2O2
Molecular Weight:
269.8789
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Product Description
Catalog Number:
AG01DWXO
Chemical Name:
3,5-dibromo-1H-pyrazole-4-carboxylic acid
CAS Number:
98026-81-4
Molecular Formula:
C4H2Br2N2O2
Molecular Weight:
269.8789
MDL Number:
MFCD00462185
IUPAC Name:
3,5-dibromo-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C4H2Br2N2O2/c5-2-1(4(9)10)3(6)8-7-2/h(H,7,8)(H,9,10)
InChI Key:
HMYZODJJJKIHDK-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)n[nH]c1Br
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.846g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
269.88g/mol
Monoisotopic Mass:
267.848g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties