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84971-33-5 | Carbamic acid, (3-bromo-4-ethoxy-5-fluorophenyl)-, 1-methylethyl ester
CAS No: 84971-33-5 Catalog No: AG004QK8 MDL No:
Product Description
Catalog Number:
AG004QK8
Chemical Name:
Carbamic acid, (3-bromo-4-ethoxy-5-fluorophenyl)-, 1-methylethyl ester
CAS Number:
84971-33-5
Molecular Formula:
C12H15BrFNO3
Molecular Weight:
320.1548
IUPAC Name:
propan-2-yl N-(3-bromo-4-ethoxy-5-fluorophenyl)carbamate
InChI:
InChI=1S/C12H15BrFNO3/c1-4-17-11-9(13)5-8(6-10(11)14)15-12(16)18-7(2)3/h5-7H,4H2,1-3H3,(H,15,16)
InChI Key:
AOGHQPIUSHWAAS-UHFFFAOYSA-N
SMILES:
CCOc1c(F)cc(cc1Br)NC(=O)OC(C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.022g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.158g/mol
Monoisotopic Mass:
319.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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