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1000343-25-8 | 1H-Indazole-3-carboxaldehyde, 5,7-difluoro-
CAS No: 1000343-25-8 Catalog No: AG0000KQ MDL No:
Product Description
Catalog Number:
AG0000KQ
Chemical Name:
1H-Indazole-3-carboxaldehyde, 5,7-difluoro-
CAS Number:
1000343-25-8
Molecular Formula:
C8H4F2N2O
Molecular Weight:
182.1270
IUPAC Name:
5,7-difluoro-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C8H4F2N2O/c9-4-1-5-7(3-13)11-12-8(5)6(10)2-4/h1-3H,(H,11,12)
InChI Key:
UZSMNGUKMRMNAY-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c2c1cc(F)cc2F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.13g/mol
Monoisotopic Mass:
182.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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