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Home > Aldehydes > 1315368-70-7
1315368-70-7 | 1-(3-chloropropyl)-1H-pyrazole-4-carbaldehyde
CAS No: 1315368-70-7 Catalog No: AG01AJ5M MDL No:MFCD19382085
Product Description
Catalog Number:
AG01AJ5M
Chemical Name:
1-(3-chloropropyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1315368-70-7
Molecular Formula:
C7H9ClN2O
Molecular Weight:
172.6122
MDL Number:
MFCD19382085
IUPAC Name:
1-(3-chloropropyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C7H9ClN2O/c8-2-1-3-10-5-7(6-11)4-9-10/h4-6H,1-3H2
InChI Key:
NOJPBDHUOPXGNF-UHFFFAOYSA-N
SMILES:
ClCCCn1cc(cn1)C=O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.612g/mol
Monoisotopic Mass:
172.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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