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102493-68-5 | Benzeneethanol, 2-chloro-6-nitro-
CAS No: 102493-68-5 Catalog No: AG0007KK MDL No:MFCD00239018
Product Description
Catalog Number:
AG0007KK
Chemical Name:
Benzeneethanol, 2-chloro-6-nitro-
CAS Number:
102493-68-5
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
MDL Number:
MFCD00239018
IUPAC Name:
2-(2-chloro-6-nitrophenyl)ethanol
InChI:
InChI=1S/C8H8ClNO3/c9-7-2-1-3-8(10(12)13)6(7)4-5-11/h1-3,11H,4-5H2
InChI Key:
FLKQZNFLWOPRFX-UHFFFAOYSA-N
SMILES:
OCCc1c(Cl)cccc1[N+](=O)[O-]
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.606g/mol
Monoisotopic Mass:
201.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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