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50508-54-8 | 4-Benzyloxy-3-chloronitrobenzene
CAS No: 50508-54-8 Catalog No: AG003KTA MDL No:MFCD00179914
Product Description
Catalog Number:
AG003KTA
Chemical Name:
4-Benzyloxy-3-chloronitrobenzene
CAS Number:
50508-54-8
Molecular Formula:
C13H10ClNO3
Molecular Weight:
263.6764
MDL Number:
MFCD00179914
IUPAC Name:
2-chloro-4-nitro-1-phenylmethoxybenzene
InChI:
InChI=1S/C13H10ClNO3/c14-12-8-11(15(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
KCGQYXJMQHAREQ-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OCc1ccccc1)[N+](=O)[O-]
NSC Number:
210320
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.677g/mol
Monoisotopic Mass:
263.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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