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119879-92-4 | Carbamic acid, N-[2-bromo-5-(phenylmethoxy)phenyl]-, 1,1-dimethylethyl ester
CAS No: 119879-92-4 Catalog No: AG000PTL MDL No:
Product Description
Catalog Number:
AG000PTL
Chemical Name:
Carbamic acid, N-[2-bromo-5-(phenylmethoxy)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
119879-92-4
Molecular Formula:
C18H20BrNO3
Molecular Weight:
378.2603
IUPAC Name:
tert-butyl N-(2-bromo-5-phenylmethoxyphenyl)carbamate
InChI:
InChI=1S/C18H20BrNO3/c1-18(2,3)23-17(21)20-16-11-14(9-10-15(16)19)22-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,20,21)
InChI Key:
BZSHFDPWXSSQFF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc(ccc1Br)OCc1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
378.266g/mol
Monoisotopic Mass:
377.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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