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Home > Bromides > 1286272-80-7
1286272-80-7 | tert-Butyl (1R*,4R*)-4-(4-bromobenzamido)cyclohexylcarbamate
CAS No: 1286272-80-7 Catalog No: AG01F6LZ MDL No:
Product Description
Catalog Number:
AG01F6LZ
Chemical Name:
tert-Butyl (1R*,4R*)-4-(4-bromobenzamido)cyclohexylcarbamate
CAS Number:
1286272-80-7
Molecular Formula:
C18H25BrN2O3
Molecular Weight:
397.3067
IUPAC Name:
tert-butyl N-[4-[(4-bromobenzoyl)amino]cyclohexyl]carbamate
InChI:
InChI=1S/C18H25BrN2O3/c1-18(2,3)24-17(23)21-15-10-8-14(9-11-15)20-16(22)12-4-6-13(19)7-5-12/h4-7,14-15H,8-11H2,1-3H3,(H,20,22)(H,21,23)
InChI Key:
JKEOAWXTACJOQV-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Br)N[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
397.313g/mol
Monoisotopic Mass:
396.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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