Name: Name:tert-Butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate
Brand: Angene
SKU: AG0039SD
Rating: 90 (10 reviews)

tert-Butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate

CAS No.:

586330-18-9

Catalog Number:

AG0039SD

Molecular Formula:

C12H12IN3O4

Molecular Weight:

389.1458

Catalog Number:

AG0039SD

Chemical Name:

tert-Butyl 3-iodo-6-nitro-1H-indazole-1-carboxylate

CAS Number:

586330-18-9

Molecular Formula:

C12H12IN3O4

Molecular Weight:

389.1458

MDL Number:

MFCD11976294

IUPAC Name:

tert-butyl 3-iodo-6-nitroindazole-1-carboxylate

InChI:

InChI=1S/C12H12IN3O4/c1-12(2,3)20-11(17)15-9-6-7(16(18)19)4-5-8(9)10(13)14-15/h4-6H,1-3H3

InChI Key:

LDINLYRPDJPXTG-UHFFFAOYSA-N

SMILES:

O=C(n1nc(c2c1cc(cc2)[N+](=O)[O-])I)OC(C)(C)C

Complexity:

407

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

388.987g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

389.149g/mol

Monoisotopic Mass:

388.987g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4