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93416-98-9

93416-98-9 | 4H-Naphtho[1,2-b]pyran-4-one, 3-bromo-2,3-dihydro-

CAS No: 93416-98-9 Catalog No: AG006FXZ MDL No:

Product Description

Catalog Number:
AG006FXZ
Chemical Name:
4H-Naphtho[1,2-b]pyran-4-one, 3-bromo-2,3-dihydro-
CAS Number:
93416-98-9
Molecular Formula:
C13H9BrO2
Molecular Weight:
277.1134
IUPAC Name:
3-bromo-2,3-dihydrobenzo[h]chromen-4-one
InChI:
InChI=1S/C13H9BrO2/c14-11-7-16-13-9-4-2-1-3-8(9)5-6-10(13)12(11)15/h1-6,11H,7H2
InChI Key:
CVSCKMZSGGTMSK-UHFFFAOYSA-N
SMILES:
BrC1COc2c(C1=O)ccc1c2cccc1

Properties

Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.979g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.117g/mol
Monoisotopic Mass:
275.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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