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120157-97-3 | Carbamic acid, N-[2-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 120157-97-3 Catalog No: AG000QF2 MDL No:MFCD08443684
Product Description
Catalog Number:
AG000QF2
Chemical Name:
Carbamic acid, N-[2-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
120157-97-3
Molecular Formula:
C13H18BrNO2
Molecular Weight:
300.1915
MDL Number:
MFCD08443684
IUPAC Name:
tert-butyl N-[2-(4-bromophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-9-8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChI Key:
MRQBIMZMDWOQLF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1ccc(cc1)Br
EC Number:
601-674-4
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.196g/mol
Monoisotopic Mass:
299.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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