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Home > Aldehydes > 473528-88-0
473528-88-0 | 4-Bromo-1-methyl-1H-pyrazole-5-carbaldehyde
CAS No: 473528-88-0 Catalog No: AG0038Q3 MDL No:MFCD03074341
Product Description
Catalog Number:
AG0038Q3
Chemical Name:
4-Bromo-1-methyl-1H-pyrazole-5-carbaldehyde
CAS Number:
473528-88-0
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD03074341
IUPAC Name:
4-bromo-2-methylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C5H5BrN2O/c1-8-5(3-9)4(6)2-7-8/h2-3H,1H3
InChI Key:
GXAHYXQWHWDEDY-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1C=O)Br
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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