Home Halogens 1-(chloromethyl)-3-methyl-2-nitrobenzene

1-(chloromethyl)-3-methyl-2-nitrobenzene

CAS No.:
70018-11-0
Catalog Number:
AG00FLTY
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
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Product Description
Catalog Number:
AG00FLTY
Chemical Name:
1-(chloromethyl)-3-methyl-2-nitrobenzene
CAS Number:
70018-11-0
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD09744690
IUPAC Name:
1-(chloromethyl)-3-methyl-2-nitrobenzene
InChI:
InChI=1S/C8H8ClNO2/c1-6-3-2-4-7(5-9)8(6)10(11)12/h2-4H,5H2,1H3
InChI Key:
DKOAMCBHOMXOPX-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1[N+](=O)[O-])C
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/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