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1119280-66-8 | 2-Chloro-5H-pyrrolo[3,2-d]pyrimidine
CAS No: 1119280-66-8 Catalog No: AG00388P MDL No:MFCD11869949
Product Description
Catalog Number:
AG00388P
Chemical Name:
2-Chloro-5H-pyrrolo[3,2-d]pyrimidine
CAS Number:
1119280-66-8
Molecular Formula:
C6H4ClN3
Molecular Weight:
153.5691
MDL Number:
MFCD11869949
IUPAC Name:
2-chloro-5H-pyrrolo[3,2-d]pyrimidine
InChI:
InChI=1S/C6H4ClN3/c7-6-9-3-5-4(10-6)1-2-8-5/h1-3,8H
InChI Key:
LWPPASWKWXDDFK-UHFFFAOYSA-N
SMILES:
Clc1nc2cc[nH]c2cn1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.569g/mol
Monoisotopic Mass:
153.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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