Home Halogens 3,5-dibromo-1H-pyrazole-4-carbaldehyde

3,5-dibromo-1H-pyrazole-4-carbaldehyde

CAS No.:
888484-99-9
Catalog Number:
AG00H49P
Molecular Formula:
C4H2Br2N2O
Molecular Weight:
253.8795
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Product Description
Catalog Number:
AG00H49P
Chemical Name:
3,5-dibromo-1H-pyrazole-4-carbaldehyde
CAS Number:
888484-99-9
Molecular Formula:
C4H2Br2N2O
Molecular Weight:
253.8795
MDL Number:
MFCD14706480
IUPAC Name:
3,5-dibromo-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C4H2Br2N2O/c5-3-2(1-9)4(6)8-7-3/h1H,(H,7,8)
InChI Key:
BKUYWYXSQUOTIP-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)n[nH]c1Br
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.851g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.881g/mol
Monoisotopic Mass:
251.853g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties