Home Halogens 2-(benzyloxy)-5-bromobenzonitrile

2-(benzyloxy)-5-bromobenzonitrile

CAS No.:
835898-37-8
Catalog Number:
AG00G8UM
Molecular Formula:
C14H10BrNO
Molecular Weight:
288.1393
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Product Description
Catalog Number:
AG00G8UM
Chemical Name:
2-(benzyloxy)-5-bromobenzonitrile
CAS Number:
835898-37-8
Molecular Formula:
C14H10BrNO
Molecular Weight:
288.1393
MDL Number:
MFCD01446695
IUPAC Name:
5-bromo-2-phenylmethoxybenzonitrile
InChI:
InChI=1S/C14H10BrNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8H,10H2
InChI Key:
PEIVFKIPZRHNDR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1OCc1ccccc1
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.995g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.144g/mol
Monoisotopic Mass:
286.995g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties