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88498-88-8

88498-88-8 | 5H-Furo[3,2-b]xanthen-5-one, 11-bromo-2,3-dihydro-2-methyl-

CAS No: 88498-88-8 Catalog No: AG00495R MDL No:

Product Description

Catalog Number:
AG00495R
Chemical Name:
5H-Furo[3,2-b]xanthen-5-one, 11-bromo-2,3-dihydro-2-methyl-
CAS Number:
88498-88-8
Molecular Formula:
C16H11BrO3
Molecular Weight:
331.1607
IUPAC Name:
11-bromo-2-methyl-2,3-dihydrofuro[3,2-b]xanthen-5-one
InChI:
InChI=1S/C16H11BrO3/c1-8-6-9-7-11-14(18)10-4-2-3-5-12(10)20-16(11)13(17)15(9)19-8/h2-5,7-8H,6H2,1H3
InChI Key:
RZGLYHKVYMLERA-UHFFFAOYSA-N
SMILES:
CC1Oc2c(C1)cc1c(c2Br)oc2c(c1=O)cccc2

Properties

Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.989g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.165g/mol
Monoisotopic Mass:
329.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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