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829666-48-0 | Carbamic acid, dimethyl-, 6-iodo-7-quinolinyl ester
CAS No: 829666-48-0 Catalog No: AG00548X MDL No:
Product Description
Catalog Number:
AG00548X
Chemical Name:
Carbamic acid, dimethyl-, 6-iodo-7-quinolinyl ester
CAS Number:
829666-48-0
Molecular Formula:
C12H11IN2O2
Molecular Weight:
342.1324
IUPAC Name:
(6-iodoquinolin-7-yl) N,N-dimethylcarbamate
InChI:
InChI=1S/C12H11IN2O2/c1-15(2)12(16)17-11-7-10-8(6-9(11)13)4-3-5-14-10/h3-7H,1-2H3
InChI Key:
KIOJHMVZICLYIU-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Oc1cc2ncccc2cc1I
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.987g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.136g/mol
Monoisotopic Mass:
341.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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