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84971-03-9 | Carbamic acid, (3-chloro-4-ethoxy-5-propylphenyl)-, 1-methylethyl ester
CAS No: 84971-03-9 Catalog No: AG004UJV MDL No:
Product Description
Catalog Number:
AG004UJV
Chemical Name:
Carbamic acid, (3-chloro-4-ethoxy-5-propylphenyl)-, 1-methylethyl ester
CAS Number:
84971-03-9
Molecular Formula:
C15H22ClNO3
Molecular Weight:
299.7931
IUPAC Name:
propan-2-yl N-(3-chloro-4-ethoxy-5-propylphenyl)carbamate
InChI:
InChI=1S/C15H22ClNO3/c1-5-7-11-8-12(17-15(18)20-10(3)4)9-13(16)14(11)19-6-2/h8-10H,5-7H2,1-4H3,(H,17,18)
InChI Key:
YGDVPAXLLHGRPG-UHFFFAOYSA-N
SMILES:
CCCc1cc(NC(=O)OC(C)C)cc(c1OCC)Cl
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.795g/mol
Monoisotopic Mass:
299.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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