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80199-22-0 | Carbamic acid, [3-chloro-4-(4-ethoxyphenoxy)phenyl]-, methyl ester
CAS No: 80199-22-0 Catalog No: AG0054DM MDL No:
Product Description
Catalog Number:
AG0054DM
Chemical Name:
Carbamic acid, [3-chloro-4-(4-ethoxyphenoxy)phenyl]-, methyl ester
CAS Number:
80199-22-0
Molecular Formula:
C16H16ClNO4
Molecular Weight:
321.7555
IUPAC Name:
methyl N-[3-chloro-4-(4-ethoxyphenoxy)phenyl]carbamate
InChI:
InChI=1S/C16H16ClNO4/c1-3-21-12-5-7-13(8-6-12)22-15-9-4-11(10-14(15)17)18-16(19)20-2/h4-10H,3H2,1-2H3,(H,18,19)
InChI Key:
DAXDMCJFZYNYQS-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)Oc1ccc(cc1Cl)NC(=O)OC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.757g/mol
Monoisotopic Mass:
321.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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