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89250-40-8 | Benzenamine, 2-bromo-6-chloro-4-(1H-imidazol-4-yl)-
CAS No: 89250-40-8 Catalog No: AG00425E MDL No:
Product Description
Catalog Number:
AG00425E
Chemical Name:
Benzenamine, 2-bromo-6-chloro-4-(1H-imidazol-4-yl)-
CAS Number:
89250-40-8
Molecular Formula:
C9H7BrClN3
Molecular Weight:
272.5290
IUPAC Name:
2-bromo-6-chloro-4-(1H-imidazol-5-yl)aniline
InChI:
InChI=1S/C9H7BrClN3/c10-6-1-5(2-7(11)9(6)12)8-3-13-4-14-8/h1-4H,12H2,(H,13,14)
InChI Key:
DVWJCOSNINFDCS-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1N)Br)c1nc[nH]c1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.53g/mol
Monoisotopic Mass:
270.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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