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1000571-94-7 | [1,1'-Biphenyl]-4-propanol, 4'-chloro-
CAS No: 1000571-94-7 Catalog No: AG0000RE MDL No:
Product Description
Catalog Number:
AG0000RE
Chemical Name:
[1,1'-Biphenyl]-4-propanol, 4'-chloro-
CAS Number:
1000571-94-7
Molecular Formula:
C15H15ClO
Molecular Weight:
246.7320
IUPAC Name:
3-[4-(4-chlorophenyl)phenyl]propan-1-ol
InChI:
InChI=1S/C15H15ClO/c16-15-9-7-14(8-10-15)13-5-3-12(4-6-13)2-1-11-17/h3-10,17H,1-2,11H2
InChI Key:
DCXUKSMOJPDVKS-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1)c1ccc(cc1)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.734g/mol
Monoisotopic Mass:
246.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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