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Home > Nitro Compounds > 138995-32-1
138995-32-1 | Hexanoyl chloride, 6-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]-
CAS No: 138995-32-1 Catalog No: AG0019ZI MDL No:
Product Description
Catalog Number:
AG0019ZI
Chemical Name:
Hexanoyl chloride, 6-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]-
CAS Number:
138995-32-1
Molecular Formula:
C20H20ClNO4
Molecular Weight:
373.8301
IUPAC Name:
6-[4-[2-(4-nitrophenyl)ethenyl]phenoxy]hexanoyl chloride
InChI:
InChI=1S/C20H20ClNO4/c21-20(23)4-2-1-3-15-26-19-13-9-17(10-14-19)6-5-16-7-11-18(12-8-16)22(24)25/h5-14H,1-4,15H2
InChI Key:
IZXMQSXLUIDKNB-UHFFFAOYSA-N
SMILES:
ClC(=O)CCCCCOc1ccc(cc1)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.108g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.833g/mol
Monoisotopic Mass:
373.108g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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