Home Halogens 3-chloro-4-(dibromomethyl)benzoic acid

3-chloro-4-(dibromomethyl)benzoic acid

CAS No.:
1403326-76-0
Catalog Number:
AG01A6GL
Molecular Formula:
C8H5Br2ClO2
Molecular Weight:
328.3851
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Product Description
Catalog Number:
AG01A6GL
Chemical Name:
3-chloro-4-(dibromomethyl)benzoic acid
CAS Number:
1403326-76-0
Molecular Formula:
C8H5Br2ClO2
Molecular Weight:
328.3851
MDL Number:
MFCD25970313
IUPAC Name:
3-chloro-4-(dibromomethyl)benzoic acid
InChI:
InChI=1S/C8H5Br2ClO2/c9-7(10)5-2-1-4(8(12)13)3-6(5)11/h1-3,7H,(H,12,13)
InChI Key:
YFDHKZUMPXPDER-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)C(Br)Br
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.832g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
328.384g/mol
Monoisotopic Mass:
325.834g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties