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863870-79-5 | Carbamic acid,N,N-diethyl-, 3-bromo-2-iodophenyl ester
CAS No: 863870-79-5 Catalog No: AG004OCA MDL No:
Product Description
Catalog Number:
AG004OCA
Chemical Name:
Carbamic acid,N,N-diethyl-, 3-bromo-2-iodophenyl ester
CAS Number:
863870-79-5
Molecular Formula:
C11H13BrINO2
Molecular Weight:
398.0349
IUPAC Name:
(3-bromo-2-iodophenyl) N,N-diethylcarbamate
InChI:
InChI=1S/C11H13BrINO2/c1-3-14(4-2)11(15)16-9-7-5-6-8(12)10(9)13/h5-7H,3-4H2,1-2H3
InChI Key:
AFPVOMGMCMFENO-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Oc1cccc(c1I)Br)CC
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.917g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.038g/mol
Monoisotopic Mass:
396.917g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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