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Home > Bromides > 1379356-62-3
1379356-62-3 | 3-(3-Bromo-6-methoxy-phenoxy)propanenitrile
CAS No: 1379356-62-3 Catalog No: AG01FAYE MDL No:
Product Description
Catalog Number:
AG01FAYE
Chemical Name:
3-(3-Bromo-6-methoxy-phenoxy)propanenitrile
CAS Number:
1379356-62-3
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
IUPAC Name:
3-(5-bromo-2-methoxyphenoxy)propanenitrile
InChI:
InChI=1S/C10H10BrNO2/c1-13-9-4-3-8(11)7-10(9)14-6-2-5-12/h3-4,7H,2,6H2,1H3
InChI Key:
COZZNUBAKWMHAP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCC#N)Br
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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