Home Halogens Benzene, 1-(1-bromoethyl)-2-nitro-

Benzene, 1-(1-bromoethyl)-2-nitro-

CAS No.:
69642-00-8
Catalog Number:
AG0069JO
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
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Product Description
Catalog Number:
AG0069JO
Chemical Name:
Benzene, 1-(1-bromoethyl)-2-nitro-
CAS Number:
69642-00-8
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD11103117
IUPAC Name:
1-(1-bromoethyl)-2-nitrobenzene
InChI:
InChI=1S/C8H8BrNO2/c1-6(9)7-4-2-3-5-8(7)10(11)12/h2-6H,1H3
InChI Key:
FHKIGGSCRYVAMY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C(Br)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:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties