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Home > Nitro Compounds > 861795-53-1
861795-53-1 | (4-methyl-2-nitrophenoxy)acetyl chloride
CAS No: 861795-53-1 Catalog No: AG00JCKW MDL No:MFCD12197809
Product Description
Catalog Number:
AG00JCKW
Chemical Name:
(4-methyl-2-nitrophenoxy)acetyl chloride
CAS Number:
861795-53-1
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD12197809
IUPAC Name:
2-(4-methyl-2-nitrophenoxy)acetyl chloride
InChI:
InChI=1S/C9H8ClNO4/c1-6-2-3-8(15-5-9(10)12)7(4-6)11(13)14/h2-4H,5H2,1H3
InChI Key:
CJUNFCXRVIQKPF-UHFFFAOYSA-N
SMILES:
ClC(=O)COc1ccc(cc1[N+](=O)[O-])C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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