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20951-01-3 | Carbamic acid, N-4-pyridinyl-, phenyl ester
CAS No: 20951-01-3 Catalog No: AG002KAG MDL No:
Product Description
Catalog Number:
AG002KAG
Chemical Name:
Carbamic acid, N-4-pyridinyl-, phenyl ester
CAS Number:
20951-01-3
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
phenyl N-pyridin-4-ylcarbamate
InChI:
InChI=1S/C12H10N2O2/c15-12(14-10-6-8-13-9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,13,14,15)
InChI Key:
ASYPRKQJWDKLCV-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)Nc1ccncc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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