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296778-52-4 | Carbamic acid, N-(2,4-dichlorophenyl)-, 1,1-dimethylethyl ester
CAS No: 296778-52-4 Catalog No: AG002Z2M MDL No:
Product Description
Catalog Number:
AG002Z2M
Chemical Name:
Carbamic acid, N-(2,4-dichlorophenyl)-, 1,1-dimethylethyl ester
CAS Number:
296778-52-4
Molecular Formula:
C11H13Cl2NO2
Molecular Weight:
262.1324
IUPAC Name:
tert-butyl N-(2,4-dichlorophenyl)carbamate
InChI:
InChI=1S/C11H13Cl2NO2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChI Key:
LQSGHNHSWZXSFN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1Cl)Cl
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.032g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.13g/mol
Monoisotopic Mass:
261.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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