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1150102-47-8 | 1,2-Benzenediamine, 3-bromo-N2-methyl-
CAS No: 1150102-47-8 Catalog No: AG000FM3 MDL No:MFCD24566474
Product Description
Catalog Number:
AG000FM3
Chemical Name:
1,2-Benzenediamine, 3-bromo-N2-methyl-
CAS Number:
1150102-47-8
Molecular Formula:
C7H9BrN2
Molecular Weight:
201.0638
MDL Number:
MFCD24566474
IUPAC Name:
3-bromo-2-N-methylbenzene-1,2-diamine
InChI:
InChI=1S/C7H9BrN2/c1-10-7-5(8)3-2-4-6(7)9/h2-4,10H,9H2,1H3
InChI Key:
BVQOQXXITQULGQ-UHFFFAOYSA-N
SMILES:
CNc1c(N)cccc1Br
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.995g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.067g/mol
Monoisotopic Mass:
199.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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