200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 117007-77-9
117007-77-9 | 1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-methyl-
CAS No: 117007-77-9 Catalog No: AG000DJZ MDL No:MFCD16619816
Product Description
Catalog Number:
AG000DJZ
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-methyl-
CAS Number:
117007-77-9
Molecular Formula:
C5H5ClN2O
Molecular Weight:
144.5590
MDL Number:
MFCD16619816
IUPAC Name:
5-chloro-1-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C5H5ClN2O/c1-8-5(6)4(3-9)2-7-8/h2-3H,1H3
InChI Key:
BRTDPKPJDXNQEX-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1Cl)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:
144.009g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.558g/mol
Monoisotopic Mass:
144.009g/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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.