| CAS Number | 62016-94-8 |
| Catalog Number | AG00EKIK(AGN-PC-0JSBBD) |
| Chemical Name | 1-Chloro-4-methylpentane |
| IUPAC Name | 1-chloro-4-methylpentane |
| InChI | InChI=1S/C6H13Cl/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3 |
| InChI Key | QUKRJOOWAUJXJN-UHFFFAOYSA-N |
| MDL Number | MFCD00045304 |
| Molecular Formula | C6H13Cl |
| Molecular Weight | 120.6204 |
| SMILES | CC(CCCCl)C |
| Synonyms | 1-Chloro-4-methylpentane,
62016-94-8,
Pentane, 1-chloro-4-methyl,
Pentane, 1-chloro-4-methyl-,
AC1LAYJ7,
SCHEMBL896440,
CTK2C8742,
QUKRJOOWAUJXJN-UHFFFAOYSA-N,
ZINC2168863,
MFCD00045304,
AKOS009157487,
NE44426,
TX-015927,
FT-0768813,
CID523764,
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| Complexity | 33.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.62g/mol |
| Monoisotopic Mass | 120.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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