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53491-30-8 | (2-Chloropropoxy)benzene
CAS No: 53491-30-8 Catalog No: AG003ELI MDL No:MFCD00059488
Product Description
Catalog Number:
AG003ELI
Chemical Name:
(2-Chloropropoxy)benzene
CAS Number:
53491-30-8
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
MDL Number:
MFCD00059488
IUPAC Name:
2-chloropropoxybenzene
InChI:
InChI=1S/C9H11ClO/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
LTRAIWUUCBYXHZ-UHFFFAOYSA-N
SMILES:
CC(COc1ccccc1)Cl
Properties
Complexity:
99.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.636g/mol
Monoisotopic Mass:
170.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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