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191331-42-7 | Phenol, 4-[(chloromethyl)amino]-2-(1H-1,2,3-triazol-5-yl)-
CAS No: 191331-42-7 Catalog No: AG002F6B MDL No:
Product Description
Catalog Number:
AG002F6B
Chemical Name:
Phenol, 4-[(chloromethyl)amino]-2-(1H-1,2,3-triazol-5-yl)-
CAS Number:
191331-42-7
Molecular Formula:
C9H9ClN4O
Molecular Weight:
224.6470
IUPAC Name:
4-(chloromethylamino)-2-(2H-triazol-4-yl)phenol
InChI:
InChI=1S/C9H9ClN4O/c10-5-11-6-1-2-9(15)7(3-6)8-4-12-14-13-8/h1-4,11,15H,5H2,(H,12,13,14)
InChI Key:
KNLIBUOFEGQMCB-UHFFFAOYSA-N
SMILES:
ClCNc1ccc(c(c1)c1cnn[nH]1)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.648g/mol
Monoisotopic Mass:
224.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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