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1443327-07-8 | 4-Chloro-2-methylphenyl-(1-methyl-2-pyrrolyl)methanol
CAS No: 1443327-07-8 Catalog No: AG01F8AX MDL No:
Product Description
Catalog Number:
AG01F8AX
Chemical Name:
4-Chloro-2-methylphenyl-(1-methyl-2-pyrrolyl)methanol
CAS Number:
1443327-07-8
Molecular Formula:
C13H14ClNO
Molecular Weight:
235.7094
IUPAC Name:
(4-chloro-2-methylphenyl)-(1-methylpyrrol-2-yl)methanol
InChI:
InChI=1S/C13H14ClNO/c1-9-8-10(14)5-6-11(9)13(16)12-4-3-7-15(12)2/h3-8,13,16H,1-2H3
InChI Key:
VJFCXTYMIQGXKE-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)C(c1cccn1C)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.711g/mol
Monoisotopic Mass:
235.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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