Home Other Building Blocks 4-[2-(BROMOMETHYL)-1,3-DIOXOLAN-2-YL]BENZONITRILE

4-[2-(BROMOMETHYL)-1,3-DIOXOLAN-2-YL]BENZONITRILE

CAS No.:
60207-22-9
Catalog Number:
AG00ECGK
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
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Product Description
Catalog Number:
AG00ECGK
Chemical Name:
4-[2-(BROMOMETHYL)-1,3-DIOXOLAN-2-YL]BENZONITRILE
CAS Number:
60207-22-9
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
MDL Number:
MFCD00052887
IUPAC Name:
4-[2-(bromomethyl)-1,3-dioxolan-2-yl]benzonitrile
InChI:
InChI=1S/C11H10BrNO2/c12-8-11(14-5-6-15-11)10-3-1-9(7-13)2-4-10/h1-4H,5-6,8H2
InChI Key:
UPIQMVADUQYNGB-UHFFFAOYSA-N
SMILES:
BrCC1(OCCO1)c1ccc(cc1)C#N
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties