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Home > Aldehydes > 2059942-17-3
2059942-17-3 | 1-tert-butyl-1H-indazole-3-carbaldehyde
CAS No: 2059942-17-3 Catalog No: AG01BVVB MDL No:MFCD30476492
Product Description
Catalog Number:
AG01BVVB
Chemical Name:
1-tert-butyl-1H-indazole-3-carbaldehyde
CAS Number:
2059942-17-3
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD30476492
IUPAC Name:
1-tert-butylindazole-3-carbaldehyde
InChI:
InChI=1S/C12H14N2O/c1-12(2,3)14-11-7-5-4-6-9(11)10(8-15)13-14/h4-8H,1-3H3
InChI Key:
BTZDYMBTHNEADY-UHFFFAOYSA-N
SMILES:
O=Cc1nn(c2c1cccc2)C(C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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