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1314406-54-6 | Carbamic acid, N-[1-(3-chlorophenyl)-3-hydroxypropyl]-, 1,1-dimethylethyl ester
CAS No: 1314406-54-6 Catalog No: AG000W6Z MDL No:MFCD18907505
Product Description
Catalog Number:
AG000W6Z
Chemical Name:
Carbamic acid, N-[1-(3-chlorophenyl)-3-hydroxypropyl]-, 1,1-dimethylethyl ester
CAS Number:
1314406-54-6
Molecular Formula:
C14H20ClNO3
Molecular Weight:
285.7665
MDL Number:
MFCD18907505
IUPAC Name:
tert-butyl N-[1-(3-chlorophenyl)-3-hydroxypropyl]carbamate
InChI:
InChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16-12(7-8-17)10-5-4-6-11(15)9-10/h4-6,9,12,17H,7-8H2,1-3H3,(H,16,18)
InChI Key:
RPFZBXMBURWPTN-UHFFFAOYSA-N
SMILES:
OCCC(c1cccc(c1)Cl)NC(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.768g/mol
Monoisotopic Mass:
285.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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