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1227601-35-5 | 3-Pyridinamine, 4-(bromomethyl)-
CAS No: 1227601-35-5 Catalog No: AG000JDS MDL No:
Product Description
Catalog Number:
AG000JDS
Chemical Name:
3-Pyridinamine, 4-(bromomethyl)-
CAS Number:
1227601-35-5
Molecular Formula:
C6H7BrN2
Molecular Weight:
187.0372
IUPAC Name:
4-(bromomethyl)pyridin-3-amine
InChI:
InChI=1S/C6H7BrN2/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,3,8H2
InChI Key:
KHBAOZABFTXOGS-UHFFFAOYSA-N
SMILES:
BrCc1ccncc1N
Properties
Complexity:
87.1
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:
1
Isotope Atom Count:
0
Molecular Weight:
187.04g/mol
Monoisotopic Mass:
185.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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