Home Halogens Benzonitrile, 2-bromo-4-(difluoromethoxy)-

Benzonitrile, 2-bromo-4-(difluoromethoxy)-

CAS No.:
1261818-72-7
Catalog Number:
AG000S0X
Molecular Formula:
C8H4BrF2NO
Molecular Weight:
248.0243
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Product Description
Catalog Number:
AG000S0X
Chemical Name:
Benzonitrile, 2-bromo-4-(difluoromethoxy)-
CAS Number:
1261818-72-7
Molecular Formula:
C8H4BrF2NO
Molecular Weight:
248.0243
MDL Number:
MFCD18390874
IUPAC Name:
2-bromo-4-(difluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H4BrF2NO/c9-7-3-6(13-8(10)11)2-1-5(7)4-12/h1-3,8H
InChI Key:
DEKFUJSIORNWKY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1Br)OC(F)F
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.944g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.027g/mol
Monoisotopic Mass:
246.944g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties