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26454-86-4 | 3-Furancarbonitrile, 2-amino-5-(4-bromophenyl)-
CAS No: 26454-86-4 Catalog No: AG002TB1 MDL No:MFCD06016434
Product Description
Catalog Number:
AG002TB1
Chemical Name:
3-Furancarbonitrile, 2-amino-5-(4-bromophenyl)-
CAS Number:
26454-86-4
Molecular Formula:
C11H7BrN2O
Molecular Weight:
263.0901
MDL Number:
MFCD06016434
IUPAC Name:
2-amino-5-(4-bromophenyl)furan-3-carbonitrile
InChI:
InChI=1S/C11H7BrN2O/c12-9-3-1-7(2-4-9)10-5-8(6-13)11(14)15-10/h1-5H,14H2
InChI Key:
OPAVHIMDYMQERE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(oc1N)c1ccc(cc1)Br
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.094g/mol
Monoisotopic Mass:
261.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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