91130-39-1 Purity
96%
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Specification
The molecular formula of Chembrdg-bb 9071945 is C11H14ClNO.
The molecular weight of Chembrdg-bb 9071945 is 211.69 g/mol.
The IUPAC name of Chembrdg-bb 9071945 is 2-chloro-N-[1-(4-methylphenyl)ethyl]acetamide.
The InChI of Chembrdg-bb 9071945 is InChI=1S/C11H14ClNO/c1-8-3-5-10(6-4-8)9(2)13-11(14)7-12/h3-6,9H,7H2,1-2H3,(H,13,14).
The InChIKey of Chembrdg-bb 9071945 is MEROEWXZHHGWCP-UHFFFAOYSA-N.
The canonical SMILES of Chembrdg-bb 9071945 is CC1=CC=C(C=C1)C(C)NC(=O)CCl.
The CAS number of Chembrdg-bb 9071945 is 91131-04-3.
The XLogP3-AA value of Chembrdg-bb 9071945 is 2.4.
Chembrdg-bb 9071945 has 1 hydrogen bond donor count.
Chembrdg-bb 9071945 has 3 rotatable bond counts.