Name: Name:1-(2-chloro-4-nitrophenoxy)-3,3-dimethylbutan-2-one
Brand: Angene
SKU: AG01AGJ5
Rating: 90 (10 reviews)

1-(2-chloro-4-nitrophenoxy)-3,3-dimethylbutan-2-one

CAS No.:

1183469-43-3

Catalog Number:

AG01AGJ5

Molecular Formula:

C12H14ClNO4

Molecular Weight:

271.6969

Catalog Number:

AG01AGJ5

Chemical Name:

1-(2-chloro-4-nitrophenoxy)-3,3-dimethylbutan-2-one

CAS Number:

1183469-43-3

Molecular Formula:

C12H14ClNO4

Molecular Weight:

271.6969

MDL Number:

MFCD13206907

IUPAC Name:

1-(2-chloro-4-nitrophenoxy)-3,3-dimethylbutan-2-one

InChI:

InChI=1S/C12H14ClNO4/c1-12(2,3)11(15)7-18-10-5-4-8(14(16)17)6-9(10)13/h4-6H,7H2,1-3H3

InChI Key:

YJJVHKPUKRFGJM-UHFFFAOYSA-N

SMILES:

O=C(C(C)(C)C)COc1ccc(cc1Cl)[N+](=O)[O-]

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.697g/mol

Monoisotopic Mass:

271.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5