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Home > Fluorides > 1363382-18-6
1363382-18-6 | Carbamic acid, N-[2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]-, methyl ester
CAS No: 1363382-18-6 Catalog No: AG0011Q7 MDL No:MFCD19707643
Product Description
Catalog Number:
AG0011Q7
Chemical Name:
Carbamic acid, N-[2-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-2-oxoethyl]-, methyl ester
CAS Number:
1363382-18-6
Molecular Formula:
C13H11F6NO3
Molecular Weight:
343.2218
MDL Number:
MFCD19707643
IUPAC Name:
methyl N-[1-[3,5-bis(trifluoromethyl)phenyl]-1-oxopropan-2-yl]carbamate
InChI:
InChI=1S/C13H11F6NO3/c1-6(20-11(22)23-2)10(21)7-3-8(12(14,15)16)5-9(4-7)13(17,18)19/h3-6H,1-2H3,(H,20,22)
InChI Key:
QSTKSWLSLJXMJZ-UHFFFAOYSA-N
SMILES:
COC(=O)NC(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.225g/mol
Monoisotopic Mass:
343.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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