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81992-91-8 | Benzaldehyde, 4-chloro-2-(phenylmethyl)-
CAS No: 81992-91-8 Catalog No: AG005EPT MDL No:
Product Description
Catalog Number:
AG005EPT
Chemical Name:
Benzaldehyde, 4-chloro-2-(phenylmethyl)-
CAS Number:
81992-91-8
Molecular Formula:
C14H11ClO
Molecular Weight:
230.6895
IUPAC Name:
2-benzyl-4-chlorobenzaldehyde
InChI:
InChI=1S/C14H11ClO/c15-14-7-6-12(10-16)13(9-14)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChI Key:
DJNDTMJICQUTSN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1Cc1ccccc1)Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.691g/mol
Monoisotopic Mass:
230.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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