| CAS Number | 98730-78-0 |
| Catalog Number | AG01A3P8(AGN-PC-0I7R9B) |
| Chemical Name | 1-(Bromomethyl)cyclopropanecarbonitrile |
| IUPAC Name | 1-(bromomethyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C5H6BrN/c6-3-5(4-7)1-2-5/h1-3H2 |
| InChI Key | XWUVFNLWVDQBRJ-UHFFFAOYSA-N |
| MDL Number | MFCD16875700 |
| Molecular Formula | C5H6BrN |
| Molecular Weight | 160.0118 |
| SMILES | N#CC1(CBr)CC1 |
| Synonyms | 1-(bromomethyl)cyclopropane-1-carbonitrile,
98730-78-0,
1-(bromomethyl)cyclopropanecarbonitrile,
1-Bromomethyl-cyclopropyl-1-cyanide,
1-bromomethyl-cyclopropanecarbonitrile,
SCHEMBL4367632,
XWUVFNLWVDQBRJ-UHFFFAOYSA-N,
9521AH,
MFCD16875700,
ZINC88613677,
AKOS025141854,
CS-W001266,
BS-12780,
Cyclopropanecarbonitrile,1-(bromomethyl)-,
Cyclopropanecarbonitrile, 1-(bromomethyl)-,
AB0004328,
W-3582,
C5H6BrN,
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| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.014g/mol |
| Monoisotopic Mass | 158.968g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number