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88111-74-4

88111-74-4 | 4-Bromo-2,5-dimethylbenzaldehyde

CAS No: 88111-74-4 Catalog No: AG008CED MDL No:MFCD16295236

Product Description

Catalog Number:
AG008CED
Chemical Name:
4-Bromo-2,5-dimethylbenzaldehyde
CAS Number:
88111-74-4
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD16295236
IUPAC Name:
4-bromo-2,5-dimethylbenzaldehyde
InChI:
InChI=1S/C9H9BrO/c1-6-4-9(10)7(2)3-8(6)5-11/h3-5H,1-2H3
InChI Key:
ZTZFGJSUCDDCRK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(cc1C)Br

Properties

Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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