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1638487-45-2 | Benzoic acid, 2-(aminomethyl)-5-bromo-, methyl ester, hydrochloride (1:1)
CAS No: 1638487-45-2 Catalog No: AG001UFQ MDL No:MFCD28125530
Product Description
Catalog Number:
AG001UFQ
Chemical Name:
Benzoic acid, 2-(aminomethyl)-5-bromo-, methyl ester, hydrochloride (1:1)
CAS Number:
1638487-45-2
Molecular Formula:
C9H11BrClNO2
Molecular Weight:
280.5461
MDL Number:
MFCD28125530
IUPAC Name:
methyl 2-(aminomethyl)-5-bromobenzoate;hydrochloride
InChI:
InChI=1S/C9H10BrNO2.ClH/c1-13-9(12)8-4-7(10)3-2-6(8)5-11;/h2-4H,5,11H2,1H3;1H
InChI Key:
TUTVUTQEKMXMIK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ccc1CN.Cl
Properties
Complexity:
187
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:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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