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232597-43-2 | Carbamic acid, N-(4-benzoylphenyl)-, 1,1-dimethylethyl ester
CAS No: 232597-43-2 Catalog No: AG002MOJ MDL No:
Product Description
Catalog Number:
AG002MOJ
Chemical Name:
Carbamic acid, N-(4-benzoylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
232597-43-2
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
IUPAC Name:
tert-butyl N-(4-benzoylphenyl)carbamate
InChI:
InChI=1S/C18H19NO3/c1-18(2,3)22-17(21)19-15-11-9-14(10-12-15)16(20)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,19,21)
InChI Key:
OQADSGWHAVKCHF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1)C(=O)c1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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