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138473-50-4 | 3-Furancarbonitrile, 4-(dibromomethyl)-2,5-dihydro-5,5-dimethyl-2-oxo-
CAS No: 138473-50-4 Catalog No: AG00198Q MDL No:
Product Description
Catalog Number:
AG00198Q
Chemical Name:
3-Furancarbonitrile, 4-(dibromomethyl)-2,5-dihydro-5,5-dimethyl-2-oxo-
CAS Number:
138473-50-4
Molecular Formula:
C8H7Br2NO2
Molecular Weight:
308.9547
IUPAC Name:
4-(dibromomethyl)-5,5-dimethyl-2-oxofuran-3-carbonitrile
InChI:
InChI=1S/C8H7Br2NO2/c1-8(2)5(6(9)10)4(3-11)7(12)13-8/h6H,1-2H3
InChI Key:
CUCOSMQVBAOCEW-UHFFFAOYSA-N
SMILES:
N#CC1=C(C(Br)Br)C(OC1=O)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.882g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.957g/mol
Monoisotopic Mass:
306.884g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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