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4830-93-7 | 1-CHLORO-4-PHENYLBUTANE
CAS No: 4830-93-7 Catalog No: AG003E89 MDL No:MFCD00037117
Product Description
Catalog Number:
AG003E89
Chemical Name:
1-CHLORO-4-PHENYLBUTANE
CAS Number:
4830-93-7
Molecular Formula:
C10H13Cl
Molecular Weight:
168.6632
MDL Number:
MFCD00037117
IUPAC Name:
4-chlorobutylbenzene
InChI:
InChI=1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChI Key:
FLLZCZIHURYEQP-UHFFFAOYSA-N
SMILES:
ClCCCCc1ccccc1
EC Number:
225-408-8
Properties
Complexity:
84.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.664g/mol
Monoisotopic Mass:
168.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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