Home Halogens 2-[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]acetonitrile

2-[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]acetonitrile

CAS No.:
1181503-01-4
Catalog Number:
AG019WCB
Molecular Formula:
C10H8BrF2NO2
Molecular Weight:
292.0768
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Product Description
Catalog Number:
AG019WCB
Chemical Name:
2-[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]acetonitrile
CAS Number:
1181503-01-4
Molecular Formula:
C10H8BrF2NO2
Molecular Weight:
292.0768
MDL Number:
MFCD13417988
IUPAC Name:
2-[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]acetonitrile
InChI:
InChI=1S/C10H8BrF2NO2/c1-15-8-5-6(2-3-14)4-7(11)9(8)16-10(12)13/h4-5,10H,2H2,1H3
InChI Key:
LNICRLCJFVTQEA-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Br)c(c(c1)OC)OC(F)F
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.971g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.08g/mol
Monoisotopic Mass:
290.971g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties