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2341-42-6 | Maleamic acid, N-[9-(2,2,2-trifluoroacetamido)fluoren-2-yl]- (6CI,8CI)
CAS No: 2341-42-6 Catalog No: AG002N5G MDL No:
Product Description
Catalog Number:
AG002N5G
Chemical Name:
Maleamic acid, N-[9-(2,2,2-trifluoroacetamido)fluoren-2-yl]- (6CI,8CI)
CAS Number:
2341-42-6
Molecular Formula:
C19H13F3N2O4
Molecular Weight:
390.3127
IUPAC Name:
(Z)-4-oxo-4-[[9-[(2,2,2-trifluoroacetyl)amino]-9H-fluoren-2-yl]amino]but-2-enoic acid
InChI:
InChI=1S/C19H13F3N2O4/c20-19(21,22)18(28)24-17-13-4-2-1-3-11(13)12-6-5-10(9-14(12)17)23-15(25)7-8-16(26)27/h1-9,17H,(H,23,25)(H,24,28)(H,26,27)/b8-7-
InChI Key:
XYHFOCVVLDYSPO-FPLPWBNLSA-N
SMILES:
OC(=O)/C=C\C(=O)Nc1ccc2c(c1)C(NC(=O)C(F)(F)F)c1c2cccc1
NSC Number:
57448
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
390.083g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
390.318g/mol
Monoisotopic Mass:
390.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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