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1333222-30-2 | Carbamic acid, N-[4-bromo-3-[2-(trimethylsilyl)ethynyl]phenyl]-, 1,1-dimethylethyl ester
CAS No: 1333222-30-2 Catalog No: AG0014N1 MDL No:
Product Description
Catalog Number:
AG0014N1
Chemical Name:
Carbamic acid, N-[4-bromo-3-[2-(trimethylsilyl)ethynyl]phenyl]-, 1,1-dimethylethyl ester
CAS Number:
1333222-30-2
Molecular Formula:
C16H22BrNO2Si
Molecular Weight:
368.3409
IUPAC Name:
tert-butyl N-[4-bromo-3-(2-trimethylsilylethynyl)phenyl]carbamate
InChI:
InChI=1S/C16H22BrNO2Si/c1-16(2,3)20-15(19)18-13-7-8-14(17)12(11-13)9-10-21(4,5)6/h7-8,11H,1-6H3,(H,18,19)
InChI Key:
VKHXYUQWZVIDBV-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(c(c1)C#C[Si](C)(C)C)Br
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.346g/mol
Monoisotopic Mass:
367.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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