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1211505-84-8 | 5-bromo-1-methyl-1H-pyrazole-4-carbaldehyde
CAS No: 1211505-84-8 Catalog No: AG01C43V MDL No:MFCD13689116
Product Description
Catalog Number:
AG01C43V
Chemical Name:
5-bromo-1-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1211505-84-8
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD13689116
IUPAC Name:
5-bromo-1-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C5H5BrN2O/c1-8-5(6)4(3-9)2-7-8/h2-3H,1H3
InChI Key:
MRZJUGWICIQUIY-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1Br)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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