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98976-94-4 | Carbamic acid, diethyl-, 4-iodo-3-pyridinyl ester
CAS No: 98976-94-4 Catalog No: AG006PK8 MDL No:
Product Description
Catalog Number:
AG006PK8
Chemical Name:
Carbamic acid, diethyl-, 4-iodo-3-pyridinyl ester
CAS Number:
98976-94-4
Molecular Formula:
C10H13IN2O2
Molecular Weight:
320.1269
IUPAC Name:
(4-iodopyridin-3-yl) N,N-diethylcarbamate
InChI:
InChI=1S/C10H13IN2O2/c1-3-13(4-2)10(14)15-9-7-12-6-5-8(9)11/h5-7H,3-4H2,1-2H3
InChI Key:
ROXLFUAOIWFCQL-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Oc1cnccc1I)CC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.13g/mol
Monoisotopic Mass:
320.002g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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