| CAS Number | 79996-98-8 |
| Catalog Number | AG00ID2Z(AGN-PC-0JP18Z) |
| Chemical Name | 1-(Bromomethyl)-4-chloronaphthalene |
| IUPAC Name | 1-(bromomethyl)-4-chloronaphthalene |
| InChI | InChI=1S/C11H8BrCl/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,7H2 |
| InChI Key | DJFAAOZRYCRATC-UHFFFAOYSA-N |
| MDL Number | MFCD18410616 |
| Molecular Formula | C11H8BrCl |
| Molecular Weight | 255.5382 |
| NSC Number | 290427 |
| SMILES | ClC1=C2C(C=CC=C2)=C(CBr)C=C1 |
| Synonyms | 1-(bromomethyl)-4-chloronaphthalene,
79996-98-8,
NSC290427,
AC1L8AJJ,
SCHEMBL8824635,
1-bromomethyl-4-chloronaphthalene,
4-chloro-1-bromomethylnaphthalene,
DTXSID80314955,
DJFAAOZRYCRATC-UHFFFAOYSA-N,
ZINC1565467,
4-(bromomethyl)-1-chloro-naphthalene,
AKOS017552504,
NSC-290427,
CID324520,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.539g/mol |
| Monoisotopic Mass | 253.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number