1-Bromo-4-(chloromethyl)-2-methylbenzene - CAS 149104-97-2
Catalog: |
BB072167 |
Product Name: |
1-Bromo-4-(chloromethyl)-2-methylbenzene |
CAS: |
149104-97-2 |
Synonyms: |
1-Bromo-4-(chloromethyl)-2-methylbenzene; 4-Bromo-3-methylbenzyl chloride |
IUPAC Name: | 1-bromo-4-(chloromethyl)-2-methylbenzene |
Description: | 1-Bromo-4-(chloromethyl)-2-methylbenzene |
Molecular Weight: | 219.51 |
Molecular Formula: | C8H8BrCl |
Canonical SMILES: | CC1=C(C=CC(=C1)CCl)Br |
InChI: | InChI=1S/C8H8BrCl/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5H2,1H3 |
InChI Key: | GHIUFUSYLQYGNS-UHFFFAOYSA-N |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.94979 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.94979 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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