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1280786-55-1 | Benzoic acid, 2-bromo-5-(dimethylamino)-, hydrochloride (1:1)
CAS No: 1280786-55-1 Catalog No: AG000XQT MDL No:MFCD18783159
Product Description
Catalog Number:
AG000XQT
Chemical Name:
Benzoic acid, 2-bromo-5-(dimethylamino)-, hydrochloride (1:1)
CAS Number:
1280786-55-1
Molecular Formula:
C9H11BrClNO2
Molecular Weight:
280.5461
MDL Number:
MFCD18783159
IUPAC Name:
2-bromo-5-(dimethylamino)benzoic acid;hydrochloride
InChI:
InChI=1S/C9H10BrNO2.ClH/c1-11(2)6-3-4-8(10)7(5-6)9(12)13;/h3-5H,1-2H3,(H,12,13);1H
InChI Key:
IMMCFMLZTZKEEX-UHFFFAOYSA-N
SMILES:
CN(c1ccc(c(c1)C(=O)O)Br)C.Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.966g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.546g/mol
Monoisotopic Mass:
278.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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