| CAS Number | 35981-66-9 |
| Catalog Number | AG00I74P(AGN-PC-00PI1C) |
| Chemical Name | (4-(Bromomethyl)phenyl)(cyclopropyl)methanone |
| IUPAC Name | [4-(bromomethyl)phenyl]-cyclopropylmethanone |
| InChI | InChI=1S/C11H11BrO/c12-7-8-1-3-9(4-2-8)11(13)10-5-6-10/h1-4,10H,5-7H2 |
| InChI Key | RWDFDRURELYOOX-UHFFFAOYSA-N |
| MDL Number | MFCD11919506 |
| Molecular Formula | C11H11BrO |
| Molecular Weight | 239.1084 |
| SMILES | BrCC1=CC=C(C=C1)C(=O)C1CC1 |
| Synonyms | (4-(Bromomethyl)phenyl)(cyclopropyl)methanone,
35981-66-9,
AK148562,
Methanone, [4-(bromomethyl)phenyl]cyclopropyl-,
SCHEMBL3676771,
RWDFDRURELYOOX-UHFFFAOYSA-N,
MFCD11919506,
ZINC33466542,
AKOS022188421,
DS-9080,
FCH1408013,
AJ-86126,
AX8285884,
(4-Bromomethyl-phenyl)-cyclopropyl-methanone,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.112g/mol |
| Monoisotopic Mass | 237.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number