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20395-28-2 | 1-Pentanol, 5-chloro-, 1-acetate
CAS No: 20395-28-2 Catalog No: AG00297Z MDL No:
Product Description
Catalog Number:
AG00297Z
Chemical Name:
1-Pentanol, 5-chloro-, 1-acetate
CAS Number:
20395-28-2
Molecular Formula:
C7H13ClO2
Molecular Weight:
164.6299
IUPAC Name:
5-chloropentyl acetate
InChI:
InChI=1S/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
InChI Key:
ZCYVIAZIVJNAMO-UHFFFAOYSA-N
SMILES:
ClCCCCCOC(=O)C
EC Number:
243-784-1
NSC Number:
76003
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.06g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.629g/mol
Monoisotopic Mass:
164.06g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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