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666746-27-6 | N-Boc-4-iodo-2-methylaniline
CAS No: 666746-27-6 Catalog No: AG003STG MDL No:MFCD08703145
Product Description
Catalog Number:
AG003STG
Chemical Name:
N-Boc-4-iodo-2-methylaniline
CAS Number:
666746-27-6
Molecular Formula:
C12H16INO2
Molecular Weight:
333.1654
MDL Number:
MFCD08703145
IUPAC Name:
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
InChI:
InChI=1S/C12H16INO2/c1-8-7-9(13)5-6-10(8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChI Key:
MWSFDHVVTSPHOF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1C)I
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.169g/mol
Monoisotopic Mass:
333.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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