Home Halogens 3-bromo-5H,6H,7H-pyrrolo[1,2-a]imidazole-2-carboxylic acid hydrochloride

3-bromo-5H,6H,7H-pyrrolo[1,2-a]imidazole-2-carboxylic acid hydrochloride

CAS No.:
1909315-96-3
Catalog Number:
AG01C396
Molecular Formula:
C7H8BrClN2O2
Molecular Weight:
267.5076
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Product Description
Catalog Number:
AG01C396
Chemical Name:
3-bromo-5H,6H,7H-pyrrolo[1,2-a]imidazole-2-carboxylic acid hydrochloride
CAS Number:
1909315-96-3
Molecular Formula:
C7H8BrClN2O2
Molecular Weight:
267.5076
MDL Number:
MFCD29060374
IUPAC Name:
3-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H7BrN2O2.ClH/c8-6-5(7(11)12)9-4-2-1-3-10(4)6;/h1-3H2,(H,11,12);1H
InChI Key:
KRVQLQCSGKJYQU-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2n(c1Br)CCC2.Cl
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.946g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.507g/mol
Monoisotopic Mass:
265.946g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties