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Home > Bromides > 1799438-97-3
1799438-97-3 | Carbamic acid, N-[(1R)-1-(2-bromo-4-chlorophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 1799438-97-3 Catalog No: AG0021I7 MDL No:
Product Description
Catalog Number:
AG0021I7
Chemical Name:
Carbamic acid, N-[(1R)-1-(2-bromo-4-chlorophenyl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1799438-97-3
Molecular Formula:
C13H17BrClNO2
Molecular Weight:
334.6366
IUPAC Name:
tert-butyl N-[(1R)-1-(2-bromo-4-chlorophenyl)ethyl]carbamate
InChI:
InChI=1S/C13H17BrClNO2/c1-8(16-12(17)18-13(2,3)4)10-6-5-9(15)7-11(10)14/h5-8H,1-4H3,(H,16,17)/t8-/m1/s1
InChI Key:
KQNRMISRZVQOTB-MRVPVSSYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](c1ccc(cc1Br)Cl)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
333.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.638g/mol
Monoisotopic Mass:
333.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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