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88692-31-3 | Carbonic acid, 4-cyano-2-iodo-6-nitrophenyl ethyl ester
CAS No: 88692-31-3 Catalog No: AG0046TK MDL No:
Product Description
Catalog Number:
AG0046TK
Chemical Name:
Carbonic acid, 4-cyano-2-iodo-6-nitrophenyl ethyl ester
CAS Number:
88692-31-3
Molecular Formula:
C10H7IN2O5
Molecular Weight:
362.0774
IUPAC Name:
(4-cyano-2-iodo-6-nitrophenyl) ethyl carbonate
InChI:
InChI=1S/C10H7IN2O5/c1-2-17-10(14)18-9-7(11)3-6(5-12)4-8(9)13(15)16/h3-4H,2H2,1H3
InChI Key:
DZJMIKHDCCWNRT-UHFFFAOYSA-N
SMILES:
CCOC(=O)Oc1c(I)cc(cc1[N+](=O)[O-])C#N
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.94g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.079g/mol
Monoisotopic Mass:
361.94g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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