Name: Name:Benzoic acid, 4-bromo-2,6-dinitro-, methyl ester
Brand: Angene
SKU: AG000WVC
Rating: 90 (10 reviews)

Benzoic acid, 4-bromo-2,6-dinitro-, methyl ester

CAS No.:

1272756-03-2

Catalog Number:

AG000WVC

Molecular Formula:

C8H5BrN2O6

Molecular Weight:

305.0391

Catalog Number:

AG000WVC

Chemical Name:

Benzoic acid, 4-bromo-2,6-dinitro-, methyl ester

CAS Number:

1272756-03-2

Molecular Formula:

C8H5BrN2O6

Molecular Weight:

305.0391

MDL Number:

MFCD18651710

IUPAC Name:

methyl 4-bromo-2,6-dinitrobenzoate

InChI:

InChI=1S/C8H5BrN2O6/c1-17-8(12)7-5(10(13)14)2-4(9)3-6(7)11(15)16/h2-3H,1H3

InChI Key:

XFHBMIBQDDEXIX-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(cc(cc1[N+](=O)[O-])Br)[N+](=O)[O-]

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

303.933g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

305.04g/mol

Monoisotopic Mass:

303.933g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

118A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1