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100672-96-6 | 2-Propenoyl chloride, 2-methyl-3-[4-(3-pyridinylmethyl)phenyl]-, (E)- (9CI)
CAS No: 100672-96-6 Catalog No: AG0002M9 MDL No:
Product Description
Catalog Number:
AG0002M9
Chemical Name:
2-Propenoyl chloride, 2-methyl-3-[4-(3-pyridinylmethyl)phenyl]-, (E)- (9CI)
CAS Number:
100672-96-6
Molecular Formula:
C16H14ClNO
Molecular Weight:
271.7415
IUPAC Name:
2-methyl-3-[4-(pyridin-3-ylmethyl)phenyl]prop-2-enoyl chloride
InChI:
InChI=1S/C16H14ClNO/c1-12(16(17)19)9-13-4-6-14(7-5-13)10-15-3-2-8-18-11-15/h2-9,11H,10H2,1H3
InChI Key:
YWUNJFHISZDVLJ-UHFFFAOYSA-N
SMILES:
ClC(=O)/C(=C/c1ccc(cc1)Cc1cccnc1)/C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.076g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.744g/mol
Monoisotopic Mass:
271.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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