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88563-54-6 | Benzene, 4-(1-chloroethyl)-1-methoxy-2-nitro-
CAS No: 88563-54-6 Catalog No: AG004BTI MDL No:
Product Description
Catalog Number:
AG004BTI
Chemical Name:
Benzene, 4-(1-chloroethyl)-1-methoxy-2-nitro-
CAS Number:
88563-54-6
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
IUPAC Name:
4-(1-chloroethyl)-1-methoxy-2-nitrobenzene
InChI:
InChI=1S/C9H10ClNO3/c1-6(10)7-3-4-9(14-2)8(5-7)11(12)13/h3-6H,1-2H3
InChI Key:
QNXVBTKVPNDGIW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])C(Cl)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.633g/mol
Monoisotopic Mass:
215.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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