Home Nitros 2-(Chloromethyl)-1-methyl-4-nitrobenzene

2-(Chloromethyl)-1-methyl-4-nitrobenzene

CAS No.:
58966-24-8
Catalog Number:
AG00EGRH
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
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Product Description
Catalog Number:
AG00EGRH
Chemical Name:
2-(Chloromethyl)-1-methyl-4-nitrobenzene
CAS Number:
58966-24-8
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD01846407
IUPAC Name:
2-(chloromethyl)-1-methyl-4-nitrobenzene
InChI:
InChI=1S/C8H8ClNO2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,5H2,1H3
InChI Key:
HBCZMIJXNQCIDC-UHFFFAOYSA-N
SMILES:
ClCc1cc(ccc1C)[N+](=O)[O-]
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:
2.9  
Properties