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114039-33-7 | 3H-Naphtho[2,1-b]pyran-2-carbonitrile, 8-bromo-3-oxo-
CAS No: 114039-33-7 Catalog No: AG000ACD MDL No:
Product Description
Catalog Number:
AG000ACD
Chemical Name:
3H-Naphtho[2,1-b]pyran-2-carbonitrile, 8-bromo-3-oxo-
CAS Number:
114039-33-7
Molecular Formula:
C14H6BrNO2
Molecular Weight:
300.1069
IUPAC Name:
8-bromo-3-oxobenzo[f]chromene-2-carbonitrile
InChI:
InChI=1S/C14H6BrNO2/c15-10-2-3-11-8(5-10)1-4-13-12(11)6-9(7-16)14(17)18-13/h1-6H
InChI Key:
TZIHUOQTGYPTOJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(oc1=O)ccc1c2ccc(c1)Br
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.958g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.111g/mol
Monoisotopic Mass:
298.958g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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