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Home > Aldehydes > 102735-85-3
102735-85-3 | 1H-Indazole-3-carboxaldehyde, 4-chloro-
CAS No: 102735-85-3 Catalog No: AG000891 MDL No:
Product Description
Catalog Number:
AG000891
Chemical Name:
1H-Indazole-3-carboxaldehyde, 4-chloro-
CAS Number:
102735-85-3
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
IUPAC Name:
4-chloro-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C8H5ClN2O/c9-5-2-1-3-6-8(5)7(4-12)11-10-6/h1-4H,(H,10,11)
InChI Key:
INZGVVZFYFGKJE-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c2c1c(Cl)ccc2
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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