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1487-42-9

1487-42-9 | 1-Butanol, 4-chloro-, 1-propanoate

CAS No: 1487-42-9 Catalog No: AG001L4T MDL No:

Product Description

Catalog Number:
AG001L4T
Chemical Name:
1-Butanol, 4-chloro-, 1-propanoate
CAS Number:
1487-42-9
Molecular Formula:
C7H13ClO2
Molecular Weight:
164.6299
IUPAC Name:
4-chlorobutan-1-ol;propanoic acid
InChI:
InChI=1S/C4H9ClO.C3H6O2/c5-3-1-2-4-6;1-2-3(4)5/h6H,1-4H2;2H2,1H3,(H,4,5)
InChI Key:
BCSMKNOFOUQIDS-UHFFFAOYSA-N
SMILES:
ClCCCCOC(=O)CC

Properties

Complexity:
63.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.071g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.644g/mol
Monoisotopic Mass:
182.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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