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885270-69-9 | 2H-1-Benzopyran-3-carbonitrile,5-bromo-
CAS No: 885270-69-9 Catalog No: AG0046YF MDL No:
Product Description
Catalog Number:
AG0046YF
Chemical Name:
2H-1-Benzopyran-3-carbonitrile,5-bromo-
CAS Number:
885270-69-9
Molecular Formula:
C10H6BrNO
Molecular Weight:
236.0647
IUPAC Name:
5-bromo-2H-chromene-3-carbonitrile
InChI:
InChI=1S/C10H6BrNO/c11-9-2-1-3-10-8(9)4-7(5-12)6-13-10/h1-4H,6H2
InChI Key:
ADAYHDUSYQEYMD-UHFFFAOYSA-N
SMILES:
N#CC1=Cc2c(OC1)cccc2Br
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.963g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.068g/mol
Monoisotopic Mass:
234.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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