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Home > Bromides > 1416438-99-7
1416438-99-7 | Carbamic acid, N-(7-bromo-4-quinolinyl)-, 1,1-dimethylethyl ester
CAS No: 1416438-99-7 Catalog No: AG001GSE MDL No:MFCD22690544
Product Description
Catalog Number:
AG001GSE
Chemical Name:
Carbamic acid, N-(7-bromo-4-quinolinyl)-, 1,1-dimethylethyl ester
CAS Number:
1416438-99-7
Molecular Formula:
C14H15BrN2O2
Molecular Weight:
323.1851
MDL Number:
MFCD22690544
IUPAC Name:
tert-butyl N-(7-bromoquinolin-4-yl)carbamate
InChI:
InChI=1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-11-6-7-16-12-8-9(15)4-5-10(11)12/h4-8H,1-3H3,(H,16,17,18)
InChI Key:
PGXBYJYCMRUHTK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccnc2c1ccc(c2)Br
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.19g/mol
Monoisotopic Mass:
322.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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