Home Halogens 3-bromo-2,4-dimethylbenzaldehyde

3-bromo-2,4-dimethylbenzaldehyde

CAS No.:
693285-59-5
Catalog Number:
AG00FG7I
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
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Product Description
Catalog Number:
AG00FG7I
Chemical Name:
3-bromo-2,4-dimethylbenzaldehyde
CAS Number:
693285-59-5
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD22571466
IUPAC Name:
3-bromo-2,4-dimethylbenzaldehyde
InChI:
InChI=1S/C9H9BrO/c1-6-3-4-8(5-11)7(2)9(6)10/h3-5H,1-2H3
InChI Key:
YJCKVJMBZBBHOR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1C)Br)C
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  
Properties