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1242094-20-7 | Carbamic acid, N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1242094-20-7 Catalog No: AG000LNZ MDL No:
Product Description
Catalog Number:
AG000LNZ
Chemical Name:
Carbamic acid, N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1242094-20-7
Molecular Formula:
C15H18BrN3O2
Molecular Weight:
352.2263
IUPAC Name:
tert-butyl N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]carbamate
InChI:
InChI=1S/C15H18BrN3O2/c1-15(2,3)21-14(20)18-9-13-17-8-12(19-13)10-4-6-11(16)7-5-10/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChI Key:
UEHZDQQNTCBVCQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ncc([nH]1)c1ccc(cc1)Br
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.058g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.232g/mol
Monoisotopic Mass:
351.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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