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13751-83-2 | Heptanoyl chloride, 2-methyl-
CAS No: 13751-83-2 Catalog No: AG0013GP MDL No:
Product Description
Catalog Number:
AG0013GP
Chemical Name:
Heptanoyl chloride, 2-methyl-
CAS Number:
13751-83-2
Molecular Formula:
C8H15ClO
Molecular Weight:
162.6571
IUPAC Name:
2-methylheptanoyl chloride
InChI:
InChI=1S/C8H15ClO/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3
InChI Key:
YKPOJBPJGIYSCL-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)Cl)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.081g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.657g/mol
Monoisotopic Mass:
162.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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