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101257-82-3 | 4-Pyrimidinamine, 5-chloro-
CAS No: 101257-82-3 Catalog No: AG00043B MDL No:MFCD00233964
Product Description
Catalog Number:
AG00043B
Chemical Name:
4-Pyrimidinamine, 5-chloro-
CAS Number:
101257-82-3
Molecular Formula:
C4H4ClN3
Molecular Weight:
129.5477
MDL Number:
MFCD00233964
IUPAC Name:
5-chloropyrimidin-4-amine
InChI:
InChI=1S/C4H4ClN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
InChI Key:
LQNBBHICRUONJT-UHFFFAOYSA-N
SMILES:
Clc1cncnc1N
Properties
Complexity:
77.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.009g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.547g/mol
Monoisotopic Mass:
129.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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