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1269232-94-1 | Carbamic acid, N-(3-bromo-5-chloro-2-fluorophenyl)-, 1,1-dimethylethyl ester
CAS No: 1269232-94-1 Catalog No: AG000THI MDL No:
Product Description
Catalog Number:
AG000THI
Chemical Name:
Carbamic acid, N-(3-bromo-5-chloro-2-fluorophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1269232-94-1
Molecular Formula:
C11H12BrClFNO2
Molecular Weight:
324.5739
IUPAC Name:
tert-butyl N-(3-bromo-5-chloro-2-fluorophenyl)carbamate
InChI:
InChI=1S/C11H12BrClFNO2/c1-11(2,3)17-10(16)15-8-5-6(13)4-7(12)9(8)14/h4-5H,1-3H3,(H,15,16)
InChI Key:
ROQBTCYBYFOFJH-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc(Cl)cc(c1F)Br
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.972g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.574g/mol
Monoisotopic Mass:
322.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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