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Home Halogens 2-[3-bromo-4-(propan-2-yloxy)phenyl]acetonitrile

2-[3-bromo-4-(propan-2-yloxy)phenyl]acetonitrile

CAS No.:
37946-39-7
Catalog Number:
AG01A9GL
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
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Product Description
Catalog Number:
AG01A9GL
Chemical Name:
2-[3-bromo-4-(propan-2-yloxy)phenyl]acetonitrile
CAS Number:
37946-39-7
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
MDL Number:
MFCD30289751
IUPAC Name:
2-(3-bromo-4-propan-2-yloxyphenyl)acetonitrile
InChI:
InChI=1S/C11H12BrNO/c1-8(2)14-11-4-3-9(5-6-13)7-10(11)12/h3-4,7-8H,5H2,1-2H3
InChI Key:
VSLNRHLWNMUEPL-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)Br)OC(C)C
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties