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168169-11-7 | Carbamic acid, N-(4-bromo-1-naphthalenyl)-, 1,1-dimethylethyl ester
CAS No: 168169-11-7 Catalog No: AG001XVK MDL No:MFCD08704822
Product Description
Catalog Number:
AG001XVK
Chemical Name:
Carbamic acid, N-(4-bromo-1-naphthalenyl)-, 1,1-dimethylethyl ester
CAS Number:
168169-11-7
Molecular Formula:
C15H16BrNO2
Molecular Weight:
322.1970
MDL Number:
MFCD08704822
IUPAC Name:
tert-butyl N-(4-bromonaphthalen-1-yl)carbamate
InChI:
InChI=1S/C15H16BrNO2/c1-15(2,3)19-14(18)17-13-9-8-12(16)10-6-4-5-7-11(10)13/h4-9H,1-3H3,(H,17,18)
InChI Key:
HAJAGHHFQDXDEY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(c2c1cccc2)Br
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.202g/mol
Monoisotopic Mass:
321.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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