Home Other Building Blocks 2-NITRO-4-(TRIFLUOROMETHYL)BENZYL CHLORIDE

2-NITRO-4-(TRIFLUOROMETHYL)BENZYL CHLORIDE

CAS No.:
225656-59-7
Catalog Number:
AG00C1RW
Molecular Formula:
C8H5ClF3NO2
Molecular Weight:
239.5790
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Product Description
Catalog Number:
AG00C1RW
Chemical Name:
2-NITRO-4-(TRIFLUOROMETHYL)BENZYL CHLORIDE
CAS Number:
225656-59-7
Molecular Formula:
C8H5ClF3NO2
Molecular Weight:
239.5790
MDL Number:
MFCD01631694
IUPAC Name:
1-(chloromethyl)-2-nitro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5ClF3NO2/c9-4-5-1-2-6(8(10,11)12)3-7(5)13(14)15/h1-3H,4H2
InChI Key:
JWFRBTUSUAFGOS-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.996g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.578g/mol
Monoisotopic Mass:
238.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties