1,3-Dimethyl 2-(4-bromo-2-nitrophenyl)propanedioate

HCID 15740596

Basic information

Standard SMILES
COC(=O)C(C(=O)OC)c1ccc(Br)cc1[N+](=O)[O-]
InChIKey
NJAONFWUEGWOPG-UHFFFAOYSA-N
Molecular formula
C11H10BrNO6
Average molar mass
332.1 g/mol

Names & identifiers

Preferred name
1,3-Dimethyl 2-(4-bromo-2-nitrophenyl)propanedioate
IUPAC
dimethyl 2-(4-bromo-2-nitrophenyl)propanedioate

Names & synonyms

100487-81-81,3-dimethyl 2-(4-bromo-2-nitrophenyl)propanedioatedimethyl 2-(4-bromo-2-nitrophenyl)malonateMFCD19288740dimethyl 4-bromo-2-nitrophenylmalonatedimethyl 2-(4-bromo-2-nitrophenyl)propanedioateSCHEMBL3952212-(4-Bromo-2-nitro-phenyl)-malonic acid dimethyl esterSCHEMBL30558592NJAONFWUEGWOPG-UHFFFAOYSA-NPropanedioic acid, (4-bromo-2-nitrophenyl)-, dimethyl esterAKOS022193625
Show more names
dimethyl 2-(4-bromo-2-nitrophenyl)-malonate5W-0035dimethyl 2-(4-bromo-2-nitro-phenyl)propanedioate1,3-dimethyl2-(4-bromo-2-nitrophenyl)propanedioateA1-284902-(4-bromo-2-nitrophenyl)malonic acid dimethyl ester

Database identifiers

PubChem CID
15740596

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
98.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
19

Related reactions

71 records

Compound notes

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