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80199-29-7 | Carbamic acid, [3-chloro-4-(3-chlorophenoxy)phenyl]-, methyl ester
CAS No: 80199-29-7 Catalog No: AG005CHZ MDL No:
Product Description
Catalog Number:
AG005CHZ
Chemical Name:
Carbamic acid, [3-chloro-4-(3-chlorophenoxy)phenyl]-, methyl ester
CAS Number:
80199-29-7
Molecular Formula:
C14H11Cl2NO3
Molecular Weight:
312.1480
IUPAC Name:
methyl N-[3-chloro-4-(3-chlorophenoxy)phenyl]carbamate
InChI:
InChI=1S/C14H11Cl2NO3/c1-19-14(18)17-10-5-6-13(12(16)8-10)20-11-4-2-3-9(15)7-11/h2-8H,1H3,(H,17,18)
InChI Key:
OLMXIHZBBVAERZ-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1ccc(c(c1)Cl)Oc1cccc(c1)Cl
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.146g/mol
Monoisotopic Mass:
311.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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