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94345-68-3 | Carbamic acid, (3-methylphenyl)-, 3-iodo-2-propynyl ester
CAS No: 94345-68-3 Catalog No: AG00H8FI MDL No:
Product Description
Catalog Number:
AG00H8FI
Chemical Name:
Carbamic acid, (3-methylphenyl)-, 3-iodo-2-propynyl ester
CAS Number:
94345-68-3
Molecular Formula:
C11H10INO2
Molecular Weight:
315.1071
IUPAC Name:
3-iodoprop-2-ynyl N-(3-methylphenyl)carbamate
InChI:
InChI=1S/C11H10INO2/c1-9-4-2-5-10(8-9)13-11(14)15-7-3-6-12/h2,4-5,8H,7H2,1H3,(H,13,14)
InChI Key:
PUNOVJKYLZEBRX-UHFFFAOYSA-N
SMILES:
IC#CCOC(=O)Nc1cccc(c1)C
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:
3.1
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