Name: Name:(S)-1-(4-Iodo-5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol
Brand: Angene
SKU: AG00HWKO
Rating: 90 (10 reviews)

(S)-1-(4-Iodo-5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol

CAS No.:

1427311-76-9

Catalog Number:

AG00HWKO

Molecular Formula:

C12H16INO4

Molecular Weight:

365.1642

Catalog Number:

AG00HWKO

Chemical Name:

(S)-1-(4-Iodo-5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol

CAS Number:

1427311-76-9

Molecular Formula:

C12H16INO4

Molecular Weight:

365.1642

MDL Number:

MFCD29916980

IUPAC Name:

(1S)-1-(4-iodo-5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol

InChI:

InChI=1S/C12H16INO4/c1-12(2,3)11(15)7-5-10(18-4)8(13)6-9(7)14(16)17/h5-6,11,15H,1-4H3/t11-/m1/s1

InChI Key:

ZLADVZVZFILTLD-LLVKDONJSA-N

SMILES:

COc1cc(c(cc1I)[N+](=O)[O-])[C@H](C(C)(C)C)O

Complexity:

299

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

365.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

365.167g/mol

Monoisotopic Mass:

365.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2