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57592-44-6 | 3-chloro-4-phenylbenzaldehyde
CAS No: 57592-44-6 Catalog No: AG01BVL0 MDL No:MFCD30476460
Product Description
Catalog Number:
AG01BVL0
Chemical Name:
3-chloro-4-phenylbenzaldehyde
CAS Number:
57592-44-6
Molecular Formula:
C13H9ClO
Molecular Weight:
216.6630
MDL Number:
MFCD30476460
IUPAC Name:
3-chloro-4-phenylbenzaldehyde
InChI:
InChI=1S/C13H9ClO/c14-13-8-10(9-15)6-7-12(13)11-4-2-1-3-5-11/h1-9H
InChI Key:
ZUHNTBRGYUKODM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Cl)c1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.034g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.664g/mol
Monoisotopic Mass:
216.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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