Home Nitriles 4-(4-Bromo-3-(hydroxymethyl)phenoxy)benzonitrile

4-(4-Bromo-3-(hydroxymethyl)phenoxy)benzonitrile

CAS No.:
906673-45-8
Catalog Number:
AG00GTZU
Molecular Formula:
C14H10BrNO2
Molecular Weight:
304.1387
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Product Description
Catalog Number:
AG00GTZU
Chemical Name:
4-(4-Bromo-3-(hydroxymethyl)phenoxy)benzonitrile
CAS Number:
906673-45-8
Molecular Formula:
C14H10BrNO2
Molecular Weight:
304.1387
MDL Number:
MFCD12165918
IUPAC Name:
4-[4-bromo-3-(hydroxymethyl)phenoxy]benzonitrile
InChI:
InChI=1S/C14H10BrNO2/c15-14-6-5-13(7-11(14)9-17)18-12-3-1-10(8-16)2-4-12/h1-7,17H,9H2
InChI Key:
DAMOSKSUIVLOJT-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1Br)Oc1ccc(cc1)C#N
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.989g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
304.143g/mol
Monoisotopic Mass:
302.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties