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Home > Aldehydes > 885519-02-8
885519-02-8 | 7-Chloro-1H-indazole-3-carbaldehyde
CAS No: 885519-02-8 Catalog No: AG008BSZ MDL No:MFCD07781634
Product Description
Catalog Number:
AG008BSZ
Chemical Name:
7-Chloro-1H-indazole-3-carbaldehyde
CAS Number:
885519-02-8
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
MDL Number:
MFCD07781634
IUPAC Name:
7-chloro-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C8H5ClN2O/c9-6-3-1-2-5-7(4-12)10-11-8(5)6/h1-4H,(H,10,11)
InChI Key:
XDIRYFSRHLGYFR-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1[nH]nc2C=O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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