Home Halogens 2-(1-chloroethyl)-1-methyl-4-nitrobenzene

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

CAS No.:
1443981-94-9
Catalog Number:
AG01A44E
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
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Product Description
Catalog Number:
AG01A44E
Chemical Name:
2-(1-chloroethyl)-1-methyl-4-nitrobenzene
CAS Number:
1443981-94-9
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD24842750
IUPAC Name:
2-(1-chloroethyl)-1-methyl-4-nitrobenzene
InChI:
InChI=1S/C9H10ClNO2/c1-6-3-4-8(11(12)13)5-9(6)7(2)10/h3-5,7H,1-2H3
InChI Key:
RHKQORBRZHAWMV-UHFFFAOYSA-N
SMILES:
CC(c1cc(ccc1C)[N+](=O)[O-])Cl
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties