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101251-78-9 | 1,3,6-Cycloheptatriene-1-carbonyl chloride
CAS No: 101251-78-9 Catalog No: AG00042S MDL No:
Product Description
Catalog Number:
AG00042S
Chemical Name:
1,3,6-Cycloheptatriene-1-carbonyl chloride
CAS Number:
101251-78-9
Molecular Formula:
C8H7ClO
Molecular Weight:
154.5936
IUPAC Name:
cyclohepta-1,3,6-triene-1-carbonyl chloride
InChI:
InChI=1S/C8H7ClO/c9-8(10)7-5-3-1-2-4-6-7/h1,3-6H,2H2
InChI Key:
XFYOBIGYOIMHMI-UHFFFAOYSA-N
SMILES:
ClC(=O)C1=CC=CCC=C1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.019g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.593g/mol
Monoisotopic Mass:
154.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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