Name: Name:Benzene, 1-nitro-4-(2-propynyloxy)-
Brand: Angene
SKU: AG00HZEI
Rating: 90 (10 reviews)

Benzene, 1-nitro-4-(2-propynyloxy)-

CAS No.:

17061-85-7

Catalog Number:

AG00HZEI

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

Catalog Number:

AG00HZEI

Chemical Name:

Benzene, 1-nitro-4-(2-propynyloxy)-

CAS Number:

17061-85-7

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

MDL Number:

MFCD01142872

IUPAC Name:

1-nitro-4-prop-2-ynoxybenzene

InChI:

InChI=1S/C9H7NO3/c1-2-7-13-9-5-3-8(4-6-9)10(11)12/h1,3-6H,7H2

InChI Key:

TXSHDUNPZCVHHF-UHFFFAOYSA-N

SMILES:

C#CCOc1ccc(cc1)[N+](=O)[O-]

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.159g/mol

Monoisotopic Mass:

177.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1