Home Aldehydes 254878-96-1
254878-96-1,MFCD13191600
Catalog No.:AA003IYA
254878-96-1 | 3-Bromo-4-(methylsulfonyl)benzaldehyde
Pack Size
Purity
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250mg
95%
2 weeks  
$275.00   $193.00
- +
1g
97%
2 weeks  
$460.00   $322.00
- +
5g
≥ 95 %
2 weeks  
$1,723.00   $1,206.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003IYA
Chemical Name:
3-Bromo-4-(methylsulfonyl)benzaldehyde
CAS Number:
254878-96-1
Molecular Formula:
C8H7BrO3S
Molecular Weight:
263.1084
MDL Number:
MFCD13191600
IUPAC Name:
3-bromo-4-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H7BrO3S/c1-13(11,12)8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChI Key:
VQVXLUIYQIQWLH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Br)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.93g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.105g/mol
Monoisotopic Mass:
261.93g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
3-BROMO-4-(METHYLSULFONYL)BENZALDEHYDE 
254878-96-1 
MFCD13191600 
ZINC42684451 
AKOS015888292 
FCH1381526 
TRA0070361 
3-Bromo-4-(methanesulfonyl)benzaldehyde 
ACM254878961 
AS-31626 
SY006894 
AB0064151 
3-bromo-4-methylsulfonylbenzaldehyde 
AB1000825 
AJ-104590 
AX8174138 
DB-067404 
TC-114484 
3-Bromo-4-(methylsulfonyl)benzaldehyde 97% 
FT-0731012 
V4702 
K-6683 
MFCD13191600 (97+%) 
ACMC-209gkd 
3-Bromo-4-(methylsulfonyl)benzaldehyde, AldrichCPR 
I01-10468 
null 
C8H7BrO3S 
SCHEMBL7017664 
CTK8B1312 
KS-00000AZL 
DTXSID40611639 
VQVXLUIYQIQWLH-UHFFFAOYSA-N 
ANW-25739 
Literature
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