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Home Halogens 1-benzyl-5-chloro-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde

1-benzyl-5-chloro-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde

CAS No.:
139157-43-0
Catalog Number:
AG01A2M5
Molecular Formula:
C14H15ClN2O
Molecular Weight:
262.7347
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Product Description
Catalog Number:
AG01A2M5
Chemical Name:
1-benzyl-5-chloro-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
139157-43-0
Molecular Formula:
C14H15ClN2O
Molecular Weight:
262.7347
MDL Number:
MFCD11540929
IUPAC Name:
1-benzyl-5-chloro-3-propan-2-ylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C14H15ClN2O/c1-10(2)13-12(9-18)14(15)17(16-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3
InChI Key:
IAILTMQZTBPZMQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)n(nc1C(C)C)Cc1ccccc1
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.087g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.737g/mol
Monoisotopic Mass:
262.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties