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115008-50-9 | Carbamic acid, (3,4-dichlorophenyl)-, 3-iodo-2-propynyl ester (9CI)
CAS No: 115008-50-9 Catalog No: AG000FKY MDL No:
Product Description
Catalog Number:
AG000FKY
Chemical Name:
Carbamic acid, (3,4-dichlorophenyl)-, 3-iodo-2-propynyl ester (9CI)
CAS Number:
115008-50-9
Molecular Formula:
C10H6Cl2INO2
Molecular Weight:
369.9706
IUPAC Name:
3-iodoprop-2-ynyl N-(3,4-dichlorophenyl)carbamate
InChI:
InChI=1S/C10H6Cl2INO2/c11-8-3-2-7(6-9(8)12)14-10(15)16-5-1-4-13/h2-3,6H,5H2,(H,14,15)
InChI Key:
IMKPAYOTWPXCFV-UHFFFAOYSA-N
SMILES:
IC#CCOC(=O)Nc1ccc(c(c1)Cl)Cl
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.882g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.967g/mol
Monoisotopic Mass:
368.882g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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