Name: Name:Benzoic acid, 3-methoxy-4-nitro-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG000KCZ
Rating: 90 (10 reviews)

Benzoic acid, 3-methoxy-4-nitro-, 1,1-dimethylethyl ester

CAS No.:

123330-91-6

Catalog Number:

AG000KCZ

Molecular Formula:

C12H15NO5

Molecular Weight:

253.2512

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

95%

1 week

United States

$234

- +

95%

1 week

United States

$528

- +

Catalog Number:

AG000KCZ

Chemical Name:

Benzoic acid, 3-methoxy-4-nitro-, 1,1-dimethylethyl ester

CAS Number:

123330-91-6

Molecular Formula:

C12H15NO5

Molecular Weight:

253.2512

MDL Number:

MFCD08703415

IUPAC Name:

tert-butyl 3-methoxy-4-nitrobenzoate

InChI:

InChI=1S/C12H15NO5/c1-12(2,3)18-11(14)8-5-6-9(13(15)16)10(7-8)17-4/h5-7H,1-4H3

InChI Key:

LFDOPLFGPFOCKH-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1[N+](=O)[O-])C(=O)OC(C)(C)C

Complexity:

317

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.254g/mol

Monoisotopic Mass:

253.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6