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6957-54-6 | 2(5H)-Furanone,5-[(3-bromo-9-oxo-9H-fluoren-2-yl)imino]-
CAS No: 6957-54-6 Catalog No: AG005K4K MDL No:
Product Description
Catalog Number:
AG005K4K
Chemical Name:
2(5H)-Furanone,5-[(3-bromo-9-oxo-9H-fluoren-2-yl)imino]-
CAS Number:
6957-54-6
Molecular Formula:
C17H8BrNO3
Molecular Weight:
354.1543
IUPAC Name:
5-(3-bromo-9-oxofluoren-2-yl)iminofuran-2-one
InChI:
InChI=1S/C17H8BrNO3/c18-13-7-11-9-3-1-2-4-10(9)17(21)12(11)8-14(13)19-15-5-6-16(20)22-15/h1-8H
InChI Key:
ZEPWCMXKEBYHNG-UHFFFAOYSA-N
SMILES:
O=C1C=C/C(=N\c2cc3C(=O)c4c(c3cc2Br)cccc4)/O1
NSC Number:
65910
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.969g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.159g/mol
Monoisotopic Mass:
352.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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