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861903-34-6 | Phenol, 4-chloro-2-[(methylimino)methyl]-6-(1-methyl-1-phenylethyl)-
CAS No: 861903-34-6 Catalog No: AG004NKE MDL No:
Product Description
Catalog Number:
AG004NKE
Chemical Name:
Phenol, 4-chloro-2-[(methylimino)methyl]-6-(1-methyl-1-phenylethyl)-
CAS Number:
861903-34-6
Molecular Formula:
C17H18ClNO
Molecular Weight:
287.7839
IUPAC Name:
4-chloro-2-(methyliminomethyl)-6-(2-phenylpropan-2-yl)phenol
InChI:
InChI=1S/C17H18ClNO/c1-17(2,13-7-5-4-6-8-13)15-10-14(18)9-12(11-19-3)16(15)20/h4-11,20H,1-3H3
InChI Key:
SYGJEHXDLQULOT-UHFFFAOYSA-N
SMILES:
CN=Cc1cc(Cl)cc(c1O)C(c1ccccc1)(C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.787g/mol
Monoisotopic Mass:
287.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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