Home Halogens 2,2-DichlorocaprolactaM

2,2-DichlorocaprolactaM

CAS No.:
1709-14-4
Catalog Number:
AG00AS5T
Molecular Formula:
C6H9Cl2NO
Molecular Weight:
182.0478
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00AS5T
Chemical Name:
2,2-DichlorocaprolactaM
CAS Number:
1709-14-4
Molecular Formula:
C6H9Cl2NO
Molecular Weight:
182.0478
MDL Number:
MFCD00463348
IUPAC Name:
3,3-dichloroazepan-2-one
InChI:
InChI=1S/C6H9Cl2NO/c7-6(8)3-1-2-4-9-5(6)10/h1-4H2,(H,9,10)
InChI Key:
YBOFMSCOQHPFRN-UHFFFAOYSA-N
SMILES:
O=C1NCCCCC1(Cl)Cl
NSC Number:
12943
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.006g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.044g/mol
Monoisotopic Mass:
181.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties