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115751-80-9

115751-80-9 | 1H-Tetrazole-5-carbonyl chloride, 1-methoxy-

CAS No: 115751-80-9 Catalog No: AG000GU9 MDL No:MFCD13173690

Product Description

Catalog Number:
AG000GU9
Chemical Name:
1H-Tetrazole-5-carbonyl chloride, 1-methoxy-
CAS Number:
115751-80-9
Molecular Formula:
C3H3ClN4O2
Molecular Weight:
162.5345
MDL Number:
MFCD13173690
IUPAC Name:
1-methoxytetrazole-5-carbonyl chloride
InChI:
InChI=1S/C3H3ClN4O2/c1-10-8-3(2(4)9)5-6-7-8/h1H3
InChI Key:
FJCZOYXVQDFIBJ-UHFFFAOYSA-N
SMILES:
COn1nnnc1C(=O)Cl

Properties

Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.994g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.533g/mol
Monoisotopic Mass:
161.994g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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