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488713-81-1 | Carbamic acid, (4-cyano-2-iodophenyl)-, 1,1-dimethylethyl ester
CAS No: 488713-81-1 Catalog No: AG006VZK MDL No:
Product Description
Catalog Number:
AG006VZK
Chemical Name:
Carbamic acid, (4-cyano-2-iodophenyl)-, 1,1-dimethylethyl ester
CAS Number:
488713-81-1
Molecular Formula:
C12H13IN2O2
Molecular Weight:
344.1483
IUPAC Name:
tert-butyl N-(4-cyano-2-iodophenyl)carbamate
InChI:
InChI=1S/C12H13IN2O2/c1-12(2,3)17-11(16)15-10-5-4-8(7-14)6-9(10)13/h4-6H,1-3H3,(H,15,16)
InChI Key:
KAFJBQGEEBPVEM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)I)NC(=O)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.152g/mol
Monoisotopic Mass:
344.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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