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14313-51-0 | 4-Methoxyphenylcarbamic acid 4-iodo-2-butynyl ester
CAS No: 14313-51-0 Catalog No: AG00AJVZ MDL No:
Product Description
Catalog Number:
AG00AJVZ
Chemical Name:
4-Methoxyphenylcarbamic acid 4-iodo-2-butynyl ester
CAS Number:
14313-51-0
IUPAC Name:
4-iodobut-2-ynyl N-(4-methoxyphenyl)carbamate
InChI:
InChI=1S/C12H12INO3/c1-16-11-6-4-10(5-7-11)14-12(15)17-9-3-2-8-13/h4-7H,8-9H2,1H3,(H,14,15)
InChI Key:
HLSLTRJZIMUVRV-UHFFFAOYSA-N
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.136g/mol
Monoisotopic Mass:
344.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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