Name: Name:1H-Isoindole-1,3(2H)-dione, 2-(4-bromobutyl)-5-nitro-
Brand: Angene
SKU: AG000ND0
Rating: 90 (10 reviews)

1H-Isoindole-1,3(2H)-dione, 2-(4-bromobutyl)-5-nitro-

CAS No.:

125207-39-8

Catalog Number:

AG000ND0

Molecular Formula:

C12H11BrN2O4

Molecular Weight:

327.1307

Catalog Number:

AG000ND0

Chemical Name:

1H-Isoindole-1,3(2H)-dione, 2-(4-bromobutyl)-5-nitro-

CAS Number:

125207-39-8

Molecular Formula:

C12H11BrN2O4

Molecular Weight:

327.1307

MDL Number:

MFCD01313849

IUPAC Name:

2-(4-bromobutyl)-5-nitroisoindole-1,3-dione

InChI:

InChI=1S/C12H11BrN2O4/c13-5-1-2-6-14-11(16)9-4-3-8(15(18)19)7-10(9)12(14)17/h3-4,7H,1-2,5-6H2

InChI Key:

MQBKILMXULFSRI-UHFFFAOYSA-N

SMILES:

BrCCCCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]

Complexity:

396

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

325.99g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.134g/mol

Monoisotopic Mass:

325.99g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8