Name: Name:Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-methyl ester
Brand: Angene
SKU: AG00E91W
Rating: 90 (10 reviews)

Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-methyl ester

CAS No.:

57113-90-3

Catalog Number:

AG00E91W

Molecular Formula:

C13H16N2O6

Molecular Weight:

296.2759

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Availability

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>98.0%(GC)

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Catalog Number:

AG00E91W

Chemical Name:

Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-methyl ester

CAS Number:

57113-90-3

Molecular Formula:

C13H16N2O6

Molecular Weight:

296.2759

MDL Number:

MFCD06797690

IUPAC Name:

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate

InChI:

InChI=1S/C13H16N2O6/c1-13(2,3)21-12(17)14-10-8(11(16)20-4)6-5-7-9(10)15(18)19/h5-7H,1-4H3,(H,14,17)

InChI Key:

VEDIIGMQOAWKGH-UHFFFAOYSA-N

SMILES:

COC(=O)c1cccc(c1NC(=O)OC(C)(C)C)[N+](=O)[O-]

EC Number:

611-470-7

Complexity:

412

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.279g/mol

Monoisotopic Mass:

296.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7