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77072-00-5

77072-00-5 | Benzaldehyde,3-(chloromethyl)-

CAS No: 77072-00-5 Catalog No: AG005EFP MDL No:MFCD19232727

Product Description

Catalog Number:
AG005EFP
Chemical Name:
Benzaldehyde,3-(chloromethyl)-
CAS Number:
77072-00-5
Molecular Formula:
C8H7ClO
Molecular Weight:
154.5936
MDL Number:
MFCD19232727
IUPAC Name:
3-(chloromethyl)benzaldehyde
InChI:
InChI=1S/C8H7ClO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5H2
InChI Key:
GPNAKRWHQNYWMY-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)C=O

Properties

Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.019g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.593g/mol
Monoisotopic Mass:
154.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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