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18800-37-8 | Benzene, 1-(2-bromoethoxy)-2-nitro-
CAS No: 18800-37-8 Catalog No: AG002GNC MDL No:MFCD02030589
Product Description
Catalog Number:
AG002GNC
Chemical Name:
Benzene, 1-(2-bromoethoxy)-2-nitro-
CAS Number:
18800-37-8
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD02030589
IUPAC Name:
1-(2-bromoethoxy)-2-nitrobenzene
InChI:
InChI=1S/C8H8BrNO3/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,5-6H2
InChI Key:
AHOFWSHLRKOJBS-UHFFFAOYSA-N
SMILES:
BrCCOc1ccccc1[N+](=O)[O-]
NSC Number:
212493
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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