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Home Aminos 4-[(1H-imidazol-1-yl)amino]benzoic acid hydrochloride

4-[(1H-imidazol-1-yl)amino]benzoic acid hydrochloride

CAS No.:
1989671-35-3
Catalog Number:
AG01B6RT
Molecular Formula:
C10H10ClN3O2
Molecular Weight:
239.6583
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Product Description
Catalog Number:
AG01B6RT
Chemical Name:
4-[(1H-imidazol-1-yl)amino]benzoic acid hydrochloride
CAS Number:
1989671-35-3
Molecular Formula:
C10H10ClN3O2
Molecular Weight:
239.6583
MDL Number:
MFCD30342920
IUPAC Name:
4-(imidazol-1-ylamino)benzoic acid;hydrochloride
InChI:
InChI=1S/C10H9N3O2.ClH/c14-10(15)8-1-3-9(4-2-8)12-13-6-5-11-7-13;/h1-7,12H,(H,14,15);1H
InChI Key:
AXHMYGJTUFDDFD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Nn1cncc1.Cl
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
239.659g/mol
Monoisotopic Mass:
239.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties