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177842-14-7

177842-14-7 | Benzenemethanamine, 4-(difluoromethoxy)-

CAS No: 177842-14-7 Catalog No: AG0025KV MDL No:MFCD00236231

Product Description

Catalog Number:
AG0025KV
Chemical Name:
Benzenemethanamine, 4-(difluoromethoxy)-
CAS Number:
177842-14-7
Molecular Formula:
C8H9F2NO
Molecular Weight:
173.1600
MDL Number:
MFCD00236231
IUPAC Name:
[4-(difluoromethoxy)phenyl]methanamine
InChI:
InChI=1S/C8H9F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H,5,11H2
InChI Key:
UHWPLNHRROQPMB-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)OC(F)F

Properties

Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.065g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.163g/mol
Monoisotopic Mass:
173.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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