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20972-54-7 | 2H-1-Benzopyran-2-one, 3-(2-bromoethyl)-
CAS No: 20972-54-7 Catalog No: AG002KDK MDL No:MFCD00157331
Product Description
Catalog Number:
AG002KDK
Chemical Name:
2H-1-Benzopyran-2-one, 3-(2-bromoethyl)-
CAS Number:
20972-54-7
Molecular Formula:
C11H9BrO2
Molecular Weight:
253.0920
MDL Number:
MFCD00157331
IUPAC Name:
3-(2-bromoethyl)chromen-2-one
InChI:
InChI=1S/C11H9BrO2/c12-6-5-9-7-8-3-1-2-4-10(8)14-11(9)13/h1-4,7H,5-6H2
InChI Key:
KWYQUOMBGREDBP-UHFFFAOYSA-N
SMILES:
BrCCc1cc2ccccc2oc1=O
NSC Number:
99029
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.095g/mol
Monoisotopic Mass:
251.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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