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84970-53-6 | Carbamic acid, (3,5-dichloro-4-methoxyphenyl)-, 1-methylpropyl ester
CAS No: 84970-53-6 Catalog No: AG004QKI MDL No:
Product Description
Catalog Number:
AG004QKI
Chemical Name:
Carbamic acid, (3,5-dichloro-4-methoxyphenyl)-, 1-methylpropyl ester
CAS Number:
84970-53-6
Molecular Formula:
C12H15Cl2NO3
Molecular Weight:
292.1584
IUPAC Name:
butan-2-yl N-(3,5-dichloro-4-methoxyphenyl)carbamate
InChI:
InChI=1S/C12H15Cl2NO3/c1-4-7(2)18-12(16)15-8-5-9(13)11(17-3)10(14)6-8/h5-7H,4H2,1-3H3,(H,15,16)
InChI Key:
VKNCVKBYHDQFQJ-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)Nc1cc(Cl)c(c(c1)Cl)OC)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.156g/mol
Monoisotopic Mass:
291.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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