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115008-52-1 | Carbamic acid, (2-methylphenyl)-, 3-iodo-2-propynyl ester (9CI)
CAS No: 115008-52-1 Catalog No: AG000FKX MDL No:
Product Description
Catalog Number:
AG000FKX
Chemical Name:
Carbamic acid, (2-methylphenyl)-, 3-iodo-2-propynyl ester (9CI)
CAS Number:
115008-52-1
Molecular Formula:
C11H10INO2
Molecular Weight:
315.1071
IUPAC Name:
3-iodoprop-2-ynyl N-(2-methylphenyl)carbamate
InChI:
InChI=1S/C11H10INO2/c1-9-5-2-3-6-10(9)13-11(14)15-8-4-7-12/h2-3,5-6H,8H2,1H3,(H,13,14)
InChI Key:
NQGWXMWPBTXMNA-UHFFFAOYSA-N
SMILES:
IC#CCOC(=O)Nc1ccccc1C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.11g/mol
Monoisotopic Mass:
314.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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