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119856-19-8

119856-19-8 | 3-Buten-2-one, 3-chloro-4-phenyl-, (3Z)-

CAS No: 119856-19-8 Catalog No: AG000PS3 MDL No:

Product Description

Catalog Number:
AG000PS3
Chemical Name:
3-Buten-2-one, 3-chloro-4-phenyl-, (3Z)-
CAS Number:
119856-19-8
Molecular Formula:
C10H9ClO
Molecular Weight:
180.6309
IUPAC Name:
3-chloro-4-phenylbut-3-en-2-one
InChI:
InChI=1S/C10H9ClO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
XHVFFQBYESFJLP-UHFFFAOYSA-N
SMILES:
Cl/C(=C\c1ccccc1)/C(=O)C

Properties

Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.631g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.9  

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