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925668-22-0

925668-22-0 | Benzoyl chloride, 4-[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]-

CAS No: 925668-22-0 Catalog No: AG006GNH MDL No:

Product Description

Catalog Number:
AG006GNH
Chemical Name:
Benzoyl chloride, 4-[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]-
CAS Number:
925668-22-0
Molecular Formula:
C14H14ClNO3
Molecular Weight:
279.7189
IUPAC Name:
4-(2-oxoazepane-1-carbonyl)benzoyl chloride
InChI:
InChI=1S/C14H14ClNO3/c15-13(18)10-5-7-11(8-6-10)14(19)16-9-3-1-2-4-12(16)17/h5-8H,1-4,9H2
InChI Key:
MAOUTRLYLJXKEH-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)C(=O)N1CCCCCC1=O

Properties

Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.066g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.72g/mol
Monoisotopic Mass:
279.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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