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1427311-76-9 | (S)-1-(4-Iodo-5-methoxy-2-nitrophenyl)-2,2-dimethylpropan-1-ol
CAS No: 1427311-76-9 Catalog No: AG00HWKO MDL No:
Product Description
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
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
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
365.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.167g/mol
Monoisotopic Mass:
365.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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