CAS 100-19-6 | Ethanone, 1-(4-nitrophenyl)- | CAS Number 100-19-6

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100-19-6 | Ethanone, 1-(4-nitrophenyl)-

CAS No: 100-19-6 Catalog No: AG00005P MDL No:MFCD00007355

Product Description

Catalog Number:

AG00005P

Chemical Name:

Ethanone, 1-(4-nitrophenyl)-

CAS Number:

100-19-6

Molecular Formula:

C8H7NO3

Molecular Weight:

165.1461

MDL Number:

MFCD00007355

IUPAC Name:

1-(4-nitrophenyl)ethanone

InChI:

InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3

InChI Key:

YQYGPGKTNQNXMH-UHFFFAOYSA-N

SMILES:

CC(=O)c1ccc(cc1)[N+](=O)[O-]

EC Number:

202-827-4

NSC Number:

41590

UN Number:

2811

Properties

Complexity:

189

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.148g/mol

Monoisotopic Mass:

165.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

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