1-Indancarboxylic acid, 1-amino-6-(bis(2-chloroethyl)amino)-
Basic information
- CAS
92302-28-8- Standard SMILES
NC1(C(=O)O)CCc2ccc(N(CCCl)CCCl)cc21- InChIKey
QLKHYVQCWFFGNT-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N2O2
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 316.0745332
Names & identifiers
- Preferred name
- 1-Indancarboxylic acid, 1-amino-6-(bis(2-chloroethyl)amino)-
- IUPAC
- 1-amino-6-[bis(2-chloroethyl)amino]-2,3-dihydroindene-1-carboxylic acid
Names & synonyms
92302-28-81-Indancarboxylic acid, 1-amino-6-(bis(2-chloroethyl)amino)-RefChem:10556211-Amino-6-(bis(2-chloroethyl)amino)-1-indancarboxylic acidCB 1743NSC 260628BRN 2872090DTXSID101385062NSC260628NSC-2606281H-Indene-1-carboxylic acid,3-dihydro-
Database identifiers
- CAS
92302-28-8- PubChem CID
- 99906
- DTXSID
DTXSID101385062
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
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Compound notes
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