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Home > Bromides > 1379296-97-5
1379296-97-5 | 4-(4-Bromo-3-methyl-phenoxy)butanenitrile
CAS No: 1379296-97-5 Catalog No: AG01FBM1 MDL No:
Product Description
Catalog Number:
AG01FBM1
Chemical Name:
4-(4-Bromo-3-methyl-phenoxy)butanenitrile
CAS Number:
1379296-97-5
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
IUPAC Name:
4-(4-bromo-3-methylphenoxy)butanenitrile
InChI:
InChI=1S/C11H12BrNO/c1-9-8-10(4-5-11(9)12)14-7-3-2-6-13/h4-5,8H,2-3,7H2,1H3
InChI Key:
MESFJCDDKDHWHO-UHFFFAOYSA-N
SMILES:
N#CCCCOc1ccc(c(c1)C)Br
Properties
Complexity:
211
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:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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