Home Halogens 3-bromo-5-(dimethylamino)benzoic acid

3-bromo-5-(dimethylamino)benzoic acid

CAS No.:
1369915-68-3
Catalog Number:
AG01B9R0
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
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Product Description
Catalog Number:
AG01B9R0
Chemical Name:
3-bromo-5-(dimethylamino)benzoic acid
CAS Number:
1369915-68-3
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
MDL Number:
MFCD24125783
IUPAC Name:
3-bromo-5-(dimethylamino)benzoic acid
InChI:
InChI=1S/C9H10BrNO2/c1-11(2)8-4-6(9(12)13)3-7(10)5-8/h3-5H,1-2H3,(H,12,13)
InChI Key:
CQWRDFKYJBVVQN-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(=O)O)N(C)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties