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869942-76-7 | 3-Chloro-4-(1H-imidazol-1-yl);aniline
CAS No: 869942-76-7 Catalog No: AG004KEB MDL No:MFCD04971002
Product Description
Catalog Number:
AG004KEB
Chemical Name:
3-Chloro-4-(1H-imidazol-1-yl);aniline
CAS Number:
869942-76-7
Molecular Formula:
C9H8ClN3
Molecular Weight:
193.6329
MDL Number:
MFCD04971002
IUPAC Name:
3-chloro-4-imidazol-1-ylaniline
InChI:
InChI=1S/C9H8ClN3/c10-8-5-7(11)1-2-9(8)13-4-3-12-6-13/h1-6H,11H2
InChI Key:
QWZGGODEZYBJKU-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)n1cncc1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.634g/mol
Monoisotopic Mass:
193.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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