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13296-69-0 | 1,4-Benzenediamine, 2-bromo-
CAS No: 13296-69-0 Catalog No: AG0011G6 MDL No:MFCD06411033
Product Description
Catalog Number:
AG0011G6
Chemical Name:
1,4-Benzenediamine, 2-bromo-
CAS Number:
13296-69-0
Molecular Formula:
C6H7BrN2
Molecular Weight:
187.0372
MDL Number:
MFCD06411033
IUPAC Name:
2-bromobenzene-1,4-diamine
InChI:
InChI=1S/C6H7BrN2/c7-5-3-4(8)1-2-6(5)9/h1-3H,8-9H2
InChI Key:
NGULVTOQNLILMZ-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Br)N
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.979g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.04g/mol
Monoisotopic Mass:
185.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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