Name: Name:Carbonic acid, 1-chloro-1-methylethyl 4-nitrophenyl ester
Brand: Angene
SKU: AG002705
Rating: 90 (10 reviews)

Carbonic acid, 1-chloro-1-methylethyl 4-nitrophenyl ester

CAS No.:

179419-26-2

Catalog Number:

AG002705

Molecular Formula:

C10H10ClNO5

Molecular Weight:

259.6431

Catalog Number:

AG002705

Chemical Name:

Carbonic acid, 1-chloro-1-methylethyl 4-nitrophenyl ester

CAS Number:

179419-26-2

Molecular Formula:

C10H10ClNO5

Molecular Weight:

259.6431

MDL Number:

MFCD27946326

IUPAC Name:

2-chloropropan-2-yl (4-nitrophenyl) carbonate

InChI:

InChI=1S/C10H10ClNO5/c1-10(2,11)17-9(13)16-8-5-3-7(4-6-8)12(14)15/h3-6H,1-2H3

InChI Key:

QSIZWXPIZBYFML-UHFFFAOYSA-N

SMILES:

O=C(Oc1ccc(cc1)[N+](=O)[O-])OC(Cl)(C)C

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.642g/mol

Monoisotopic Mass:

259.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2