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125174-30-3 | Benzene, 1-(2-bromoethoxy)-2-chloro-4-nitro-
CAS No: 125174-30-3 Catalog No: AG000NAT MDL No:
Product Description
Catalog Number:
AG000NAT
Chemical Name:
Benzene, 1-(2-bromoethoxy)-2-chloro-4-nitro-
CAS Number:
125174-30-3
Molecular Formula:
C8H7BrClNO3
Molecular Weight:
280.5031
IUPAC Name:
1-(2-bromoethoxy)-2-chloro-4-nitrobenzene
InChI:
InChI=1S/C8H7BrClNO3/c9-3-4-14-8-2-1-6(11(12)13)5-7(8)10/h1-2,5H,3-4H2
InChI Key:
JMXPNZROKBLLIU-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1Cl)[N+](=O)[O-]
NSC Number:
212438
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.502g/mol
Monoisotopic Mass:
278.93g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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