Formula |
C14H16BrClN2O2 |
IUPAC Name |
4-[2-bromoethyl(methyl)amino]but-2-ynyl n-(3-chlorophenyl)carbamate |
Molecular Mass |
359.646 g·mol−1 |
Heat of Formation |
-58.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.08 ± 1.08 D |
Volume |
365.28 Å 3 |
Surface Area |
350.72 Å 2 |
HOMO Energy |
-9.31 ± 0.55 eV |
LUMO Energy |
-0.42 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-((2-bromoethyl)methylamino)-2-butynyl (3-chlorophenyl)carbamate
- 4-((2-bromoethyl)methylamino)-2-butynyl n-(3-chlorophenyl)carbamate
- 4-(2-bromoethyl-methyl-amino)but-2-ynyl n-(3-chlorophenyl)carbamate
- 4-(2-bromoethyl-methylamino)but-2-ynyl n-(3-chlorophenyl)carbamate
- br-384
- carbamic acid, (3-chlorophenyl)-, 4-((2-bromoethyl)methylamino)-2-butynyl ester
- n-(3-chlorophenyl)carbamic acid 4-(2-bromoethyl-methyl-amino)but-2-ynyl ester
- n-(3-chlorophenyl)carbamic acid 4-(2-bromoethyl-methylamino)but-2-ynyl ester
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InChIKey |
SWJSAKZDVODBPF-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
O
N
Br
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