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13684-97-4 | Benzene, (2-chloro-1-methylethoxy)-
CAS No: 13684-97-4 Catalog No: AG0012GD MDL No:
Product Description
Catalog Number:
AG0012GD
Chemical Name:
Benzene, (2-chloro-1-methylethoxy)-
CAS Number:
13684-97-4
Molecular Formula:
C9H11ClO
Molecular Weight:
170.6360
IUPAC Name:
1-chloropropan-2-yloxybenzene
InChI:
InChI=1S/C9H11ClO/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
QTBREQXZXJCAGW-UHFFFAOYSA-N
SMILES:
ClCC(Oc1ccccc1)C
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:
2.9
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