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1017781-63-3 | Carbamic acid, N-[[3-[2-(4-chlorophenyl)acetyl]phenyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1017781-63-3 Catalog No: AG0005J0 MDL No:MFCD09997759
Product Description
Catalog Number:
AG0005J0
Chemical Name:
Carbamic acid, N-[[3-[2-(4-chlorophenyl)acetyl]phenyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1017781-63-3
Molecular Formula:
C20H22ClNO3
Molecular Weight:
359.8466
MDL Number:
MFCD09997759
IUPAC Name:
tert-butyl N-[[3-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate
InChI:
InChI=1S/C20H22ClNO3/c1-20(2,3)25-19(24)22-13-15-5-4-6-16(11-15)18(23)12-14-7-9-17(21)10-8-14/h4-11H,12-13H2,1-3H3,(H,22,24)
InChI Key:
ZENMWFAIHYXMMQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cccc(c1)C(=O)Cc1ccc(cc1)Cl
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.129g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.85g/mol
Monoisotopic Mass:
359.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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