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102117-74-8 | Phenol, 2-(3-chloro-2-propen-1-yl)-4-methyl-
CAS No: 102117-74-8 Catalog No: AG0006NO MDL No:
Product Description
Catalog Number:
AG0006NO
Chemical Name:
Phenol, 2-(3-chloro-2-propen-1-yl)-4-methyl-
CAS Number:
102117-74-8
Molecular Formula:
C10H11ClO
Molecular Weight:
182.6467
IUPAC Name:
2-(3-chloroprop-2-enyl)-4-methylphenol
InChI:
InChI=1S/C10H11ClO/c1-8-4-5-10(12)9(7-8)3-2-6-11/h2,4-7,12H,3H2,1H3
InChI Key:
YWASPXAVAGDMAT-UHFFFAOYSA-N
SMILES:
Cc1cc(CC=CCl)c(cc1)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.647g/mol
Monoisotopic Mass:
182.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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