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1475-12-3 | Benzenemethanol, 2,5-dichloro-α-methyl-
CAS No: 1475-12-3 Catalog No: AG001EY4 MDL No:MFCD00021861
Product Description
Catalog Number:
AG001EY4
Chemical Name:
Benzenemethanol, 2,5-dichloro-α-methyl-
CAS Number:
1475-12-3
Molecular Formula:
C8H8Cl2O
Molecular Weight:
191.0545
MDL Number:
MFCD00021861
IUPAC Name:
1-(2,5-dichlorophenyl)ethanol
InChI:
InChI=1S/C8H8Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3
InChI Key:
RDMKUSDLLGKMCK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(O)C)Cl
EC Number:
216-018-9
NSC Number:
157362
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.995g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.051g/mol
Monoisotopic Mass:
189.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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