N-(4-isopropoxycarbonylamino-2-nitrophenyl)-2-bromoacetamide

HCID 21483033
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Basic information

Standard SMILES
CC(C)OC(=O)Nc1ccc(NC(=O)CBr)c([N+](=O)[O-])c1
InChIKey
GSIIHLGSDSTGQB-UHFFFAOYSA-N
Molecular formula
C12H14BrN3O5
Average molar mass
360.16 g/mol
Monoisotopic mass
359.01168

Names & identifiers

Preferred name
N-(4-isopropoxycarbonylamino-2-nitrophenyl)-2-bromoacetamide
IUPAC
propan-2-yl N-[4-[(2-bromoacetyl)amino]-3-nitrophenyl]carbamate

Names & synonyms

GSIIHLGSDSTGQB-UHFFFAOYSA-NN-(4-isopropoxycarbonylamino-2-nitrophenyl)-2-bromoacetamide

Database identifiers

PubChem CID
21483033

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
113 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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