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1260804-94-1 | Carbamic acid, N-(4-bromo-2-fluoro-5-methylphenyl)-, 1,1-dimethylethyl ester
CAS No: 1260804-94-1 Catalog No: AG000RC6 MDL No:MFCD11975715
Product Description
Catalog Number:
AG000RC6
Chemical Name:
Carbamic acid, N-(4-bromo-2-fluoro-5-methylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
1260804-94-1
Molecular Formula:
C12H15BrFNO2
Molecular Weight:
304.1554
MDL Number:
MFCD11975715
IUPAC Name:
tert-butyl N-(4-bromo-2-fluoro-5-methylphenyl)carbamate
InChI:
InChI=1S/C12H15BrFNO2/c1-7-5-10(9(14)6-8(7)13)15-11(16)17-12(2,3)4/h5-6H,1-4H3,(H,15,16)
InChI Key:
IOFPREVEXKRZQR-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(C)c(cc1F)Br)OC(C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.027g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.159g/mol
Monoisotopic Mass:
303.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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