Name: Name:Benzoic acid, 4-chloro-3-nitro-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001P9G
Rating: 90 (10 reviews)

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

CAS No.:

157160-99-1

Catalog Number:

AG001P9G

Molecular Formula:

C11H12ClNO4

Molecular Weight:

257.6703

Catalog Number:

AG001P9G

Chemical Name:

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

CAS Number:

157160-99-1

Molecular Formula:

C11H12ClNO4

Molecular Weight:

257.6703

MDL Number:

MFCD18452093

IUPAC Name:

tert-butyl 4-chloro-3-nitrobenzoate

InChI:

InChI=1S/C11H12ClNO4/c1-11(2,3)17-10(14)7-4-5-8(12)9(6-7)13(15)16/h4-6H,1-3H3

InChI Key:

BRTMDLPSCGNGEC-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)OC(C)(C)C

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.67g/mol

Monoisotopic Mass:

257.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1