Basic information
- CAS
35858-26-5- Standard SMILES
CC1(c2ccc(Br)cc2)OCC(COC(N)=O)O1- InChIKey
QSUUSSJYBHNMHY-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO4
- Average molar mass
- 316.15 g/mol
- Monoisotopic mass
- 315.01062
Names & identifiers
- Preferred name
- 1,3-Dioxolane-4-methanol, 2-(p-bromophenyl)-2-methyl-, carbamate
- IUPAC
- [2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl carbamate
Names & synonyms
BRN 129175535858-26-52-(p-Bromophenyl)-2-methyl-1,3-dioxolane-4-methanol carbamate1,3-DIOXOLANE-4-METHANOL, 2-(p-BROMOPHENYL)-2-METHYL-, CARBAMATE5-19-02-00570 (Beilstein Handbook Reference)RefChem:218987DTXSID80957265AKOS024351851ST50976729[2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl aminooate[2-(4-Bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl hydrogen carbonimidate
Database identifiers
- CAS
35858-26-5- PubChem CID
- 37283
- DTXSID
DTXSID80957265
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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