2-Propenoyl chloride, 3-phenyl-, (2E)-


Chemical Name: 2-Propenoyl chloride, 3-phenyl-, (2E)-
CAS Number: 17082-09-6
Product Number: AG00ABZ9(AGN-PC-0O4TXG)
Synonyms:
MDL No:
Molecular Formula: C9H7ClO
Molecular Weight: 166.6043

Identification/Properties


Computed Properties
Molecular Weight:
166.604g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
166.019g/mol
Monoisotopic Mass:
166.019g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
157
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H314-H318
Precautionary Statements:
P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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