Home Fluorides 85118-04-3
85118-04-3,MFCD00015549
Catalog No.:AA003IE4
85118-04-3 | 3,4-Difluorobenzamide
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1g
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$15.00   $10.00
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5g
95%
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25g
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003IE4
Chemical Name:
3,4-Difluorobenzamide
CAS Number:
85118-04-3
Molecular Formula:
C7H5F2NO
Molecular Weight:
157.1175
MDL Number:
MFCD00015549
IUPAC Name:
3,4-difluorobenzamide
InChI:
InChI=1S/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)
InChI Key:
CMWOHNIHUBDEAG-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1)F)F
EC Number:
285-656-8
Properties
Computed Properties
 
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.034g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.12g/mol
Monoisotopic Mass:
157.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
3,4-Difluorobenzamide 
85118-04-3 
3,4-Difluoro-benzamide 
AC1LAXG2 
AC1Q4ZAS 
3,4-Difluorobenzamide # 
Benzamide,3,4-difluoro- 
ACMC-209q4n 
3,4-difluorobenzamide97% 
3,4-bis(fluoranyl)benzamide 
3,4-difluorobenzamide 97% 
SCHEMBL289633 
Benzamide, 3,4-fluoro- 
3,4 - Difluoro - benzamide 
3,4-DIFLUORO BENZAMIDE 
CHEMBL3235578 
CMWOHNIHUBDEAG-UHFFFAOYSA- 
CTK5F4199 
DTXSID00234242 
HMS1776K09 
ZINC156148 
JRD-0430 
0685AF 
3,4-Difluorobenzamide, 97% 
ANW-38133 
SBB087196 
AKOS001204265 
AS00797 
MCULE-6153219389 
PS-8833 
VZ25514 
SC-54385 
ZB006222 
DB-021884 
CMWOHNIHUBDEAG-UHFFFAOYSA-N 
TR-026631 
D1802 
FT-0614275 
ST50824622 
EN300-23888 
C-5357 
A841221 
W-104092 
I01-15137 
InChI=1/C7H5F2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11) 
MFCD00015549 
C7H5F2NO 
C7-H5-F2-N-O 
CID522832 
ZINC00156148 
2HO 
EINECS 285-656-8 
3,4-diflurobenzamide 
PubChem3459 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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