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1261268-89-6

1261268-89-6 | 3-Furancarbonitrile, 2-amino-5-(3-bromophenyl)-

CAS No: 1261268-89-6 Catalog No: AG000RP3 MDL No:MFCD18375284

Product Description

Catalog Number:
AG000RP3
Chemical Name:
3-Furancarbonitrile, 2-amino-5-(3-bromophenyl)-
CAS Number:
1261268-89-6
Molecular Formula:
C11H7BrN2O
Molecular Weight:
263.0901
MDL Number:
MFCD18375284
IUPAC Name:
2-amino-5-(3-bromophenyl)furan-3-carbonitrile
InChI:
InChI=1S/C11H7BrN2O/c12-9-3-1-2-7(4-9)10-5-8(6-13)11(14)15-10/h1-5H,14H2
InChI Key:
VDDSEWSKALNCSK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(oc1N)c1cccc(c1)Br

Properties

Complexity:
275  
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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