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Home Halogens 4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline

4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline

CAS No.:
141245-78-5
Catalog Number:
AG01A9V7
Molecular Formula:
C13H10ClN3
Molecular Weight:
243.6916
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Product Description
Catalog Number:
AG01A9V7
Chemical Name:
4-(4-chloro-1H-1,3-benzodiazol-2-yl)aniline
CAS Number:
141245-78-5
Molecular Formula:
C13H10ClN3
Molecular Weight:
243.6916
MDL Number:
MFCD00443933
IUPAC Name:
4-(4-chloro-1H-benzimidazol-2-yl)aniline
InChI:
InChI=1S/C13H10ClN3/c14-10-2-1-3-11-12(10)17-13(16-11)8-4-6-9(15)7-5-8/h1-7H,15H2,(H,16,17)
InChI Key:
OYRGQZGEESTQIV-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1nc2c([nH]1)cccc2Cl
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.056g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.694g/mol
Monoisotopic Mass:
243.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties