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80789-68-0 | 4-BROMOANILINIUM BROMIDE
CAS No: 80789-68-0 Catalog No: AG00583B MDL No:
Product Description
Catalog Number:
AG00583B
Chemical Name:
4-BROMOANILINIUM BROMIDE
CAS Number:
80789-68-0
Molecular Formula:
C6H7Br2N
Molecular Weight:
252.9345
IUPAC Name:
(4-bromophenyl)azanium;bromide
InChI:
InChI=1S/C6H6BrN.BrH/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
InChI Key:
RVAONSPSAAMUMY-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)[NH3+].[Br-]
EC Number:
279-551-6
Properties
Complexity:
66.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.892g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.937g/mol
Monoisotopic Mass:
250.895g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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