Home Halogens 1-[(1S)-1-chloroethyl]-3-nitrobenzene

1-[(1S)-1-chloroethyl]-3-nitrobenzene

CAS No.:
2137077-91-7
Catalog Number:
AG01ELXC
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
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Product Description
Catalog Number:
AG01ELXC
Chemical Name:
1-[(1S)-1-chloroethyl]-3-nitrobenzene
CAS Number:
2137077-91-7
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD31559514
IUPAC Name:
1-[(1S)-1-chloroethyl]-3-nitrobenzene
InChI:
InChI=1S/C8H8ClNO2/c1-6(9)7-3-2-4-8(5-7)10(11)12/h2-6H,1H3/t6-/m0/s1
InChI Key:
QRWUNNJGVSGUAF-LURJTMIESA-N
SMILES:
C[C@@H](c1cccc(c1)[N+](=O)[O-])Cl
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
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:
2.8  
Properties