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138248-79-0 | Carbamic acid, propyl-, 4-iodo-3-butynyl ester (9CI)
CAS No: 138248-79-0 Catalog No: AG0018DL MDL No:
Product Description
Catalog Number:
AG0018DL
Chemical Name:
Carbamic acid, propyl-, 4-iodo-3-butynyl ester (9CI)
CAS Number:
138248-79-0
Molecular Formula:
C8H12INO2
Molecular Weight:
281.0908
IUPAC Name:
4-iodobut-3-ynyl N-propylcarbamate
InChI:
InChI=1S/C8H12INO2/c1-2-6-10-8(11)12-7-4-3-5-9/h2,4,6-7H2,1H3,(H,10,11)
InChI Key:
ZABZIHZUWOERSU-UHFFFAOYSA-N
SMILES:
CCCNC(=O)OCCC#CI
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.991g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.093g/mol
Monoisotopic Mass:
280.991g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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