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1934691-63-0 | tert-butyl N-(4-iodo-3-methoxyphenyl)carbamate
CAS No: 1934691-63-0 Catalog No: AG01BGGB MDL No:
Product Description
Catalog Number:
AG01BGGB
Chemical Name:
tert-butyl N-(4-iodo-3-methoxyphenyl)carbamate
CAS Number:
1934691-63-0
Molecular Formula:
C12H16INO3
Molecular Weight:
349.1648
IUPAC Name:
tert-butyl N-(4-iodo-3-methoxyphenyl)carbamate
InChI:
InChI=1S/C12H16INO3/c1-12(2,3)17-11(15)14-8-5-6-9(13)10(7-8)16-4/h5-7H,1-4H3,(H,14,15)
InChI Key:
VNINTXNLAZTBDV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1I)NC(=O)OC(C)(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.168g/mol
Monoisotopic Mass:
349.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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