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1272673-95-6 | 1H-Pyrrole-2-carboxylic acid, 3-amino-1-(4-bromophenyl)-, ethyl ester, hydrochloride (1:1)
CAS No: 1272673-95-6 Catalog No: AG000WTF MDL No:MFCD26407208
Product Description
Catalog Number:
AG000WTF
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-amino-1-(4-bromophenyl)-, ethyl ester, hydrochloride (1:1)
CAS Number:
1272673-95-6
Molecular Formula:
C13H14BrClN2O2
Molecular Weight:
345.6195
MDL Number:
MFCD26407208
IUPAC Name:
ethyl 3-amino-1-(4-bromophenyl)pyrrole-2-carboxylate;hydrochloride
InChI:
InChI=1S/C13H13BrN2O2.ClH/c1-2-18-13(17)12-11(15)7-8-16(12)10-5-3-9(14)4-6-10;/h3-8H,2,15H2,1H3;1H
InChI Key:
FXROXSUQZAKVRP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)ccn1c1ccc(cc1)Br.Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.993g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.621g/mol
Monoisotopic Mass:
343.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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