Home Fluorides 874804-08-7
874804-08-7,MFCD06409085
Catalog No.:AA003IJK
874804-08-7 | 3,5-Difluoro-2-methoxybenzonitrile
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1g
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Technical Information
Catalog Number:
AA003IJK
Chemical Name:
3,5-Difluoro-2-methoxybenzonitrile
CAS Number:
874804-08-7
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD06409085
IUPAC Name:
3,5-difluoro-2-methoxybenzonitrile
InChI:
InChI=1S/C8H5F2NO/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3H,1H3
InChI Key:
KLLHADSUBMEYEL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1OC)F
Properties
Computed Properties
 
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.131g/mol
Monoisotopic Mass:
169.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3,5-Difluoro-2-methoxybenzonitrile 
874804-08-7 
CL8176 
FCH920193 
MFCD06409085 
PC1136 
SBB088234 
ZINC12359225 
AKOS005255180 
PS-8722 
KS-000011J1 
3,5-difluoro-2-methoxybenzenecarbonitrile 
886496-72-6 
AJ-61424 
AK-36652 
CJ-13880 
SC-08696 
SC-24928 
AX8082593 
DB-031596 
RT-002811 
FT-0692003 
A21162 
PubChem4766 
3,4-Difluoro-2-methoxybenzonitrile 
KSC495S9J 
CTK3J5994 
KS-00003RBD 
JRD-1829 
ZX-AP002641 
3,5-Difluoro-2-methoxy-benzonitrile 
Literature
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