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Home > Bromides > 2137643-34-4
2137643-34-4 | tert-butyl N-[2-(5-bromo-2-methylphenyl)ethyl]carbamate
CAS No: 2137643-34-4 Catalog No: AG01ELCT MDL No:MFCD31558713
Product Description
Catalog Number:
AG01ELCT
Chemical Name:
tert-butyl N-[2-(5-bromo-2-methylphenyl)ethyl]carbamate
CAS Number:
2137643-34-4
Molecular Formula:
C14H20BrNO2
Molecular Weight:
314.2181
MDL Number:
MFCD31558713
IUPAC Name:
tert-butyl N-[2-(5-bromo-2-methylphenyl)ethyl]carbamate
InChI:
InChI=1S/C14H20BrNO2/c1-10-5-6-12(15)9-11(10)7-8-16-13(17)18-14(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChI Key:
JJKCBPGIOOZDII-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1cc(Br)ccc1C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.223g/mol
Monoisotopic Mass:
313.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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