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Home > Aldehydes > 287917-97-9
287917-97-9 | 1H-Pyrazole-3-carboxaldehyde, 4-bromo-
CAS No: 287917-97-9 Catalog No: AG002WH1 MDL No:MFCD00831607
Product Description
Catalog Number:
AG002WH1
Chemical Name:
1H-Pyrazole-3-carboxaldehyde, 4-bromo-
CAS Number:
287917-97-9
Molecular Formula:
C4H3BrN2O
Molecular Weight:
174.9834
MDL Number:
MFCD00831607
IUPAC Name:
4-bromo-1H-pyrazole-5-carbaldehyde
InChI:
InChI=1S/C4H3BrN2O/c5-3-1-6-7-4(3)2-8/h1-2H,(H,6,7)
InChI Key:
UWGFONONBAIDAF-UHFFFAOYSA-N
SMILES:
Brc1c[nH]nc1C=O
Properties
Complexity:
98
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.943g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.985g/mol
Monoisotopic Mass:
173.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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