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260809-26-5 | Carbamic acid, N-[(4-bromophenyl)methyl]-N-methyl-, 1,1-dimethylethyl ester
CAS No: 260809-26-5 Catalog No: AG002RLF MDL No:MFCD09701229
Product Description
Catalog Number:
AG002RLF
Chemical Name:
Carbamic acid, N-[(4-bromophenyl)methyl]-N-methyl-, 1,1-dimethylethyl ester
CAS Number:
260809-26-5
Molecular Formula:
C13H18BrNO2
Molecular Weight:
300.1915
MDL Number:
MFCD09701229
IUPAC Name:
tert-butyl N-[(4-bromophenyl)methyl]-N-methylcarbamate
InChI:
InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15(4)9-10-5-7-11(14)8-6-10/h5-8H,9H2,1-4H3
InChI Key:
IIUCSVYIICFIGA-UHFFFAOYSA-N
SMILES:
CN(C(=O)OC(C)(C)C)Cc1ccc(cc1)Br
Properties
Complexity:
255
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:
0
Isotope Atom Count:
0
Molecular Weight:
300.196g/mol
Monoisotopic Mass:
299.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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