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76349-67-2 | Hydrazinecarboxaldehyde, 2-(4-isothiocyanatophenyl)-
CAS No: 76349-67-2 Catalog No: AG00562S MDL No:
Product Description
Catalog Number:
AG00562S
Chemical Name:
Hydrazinecarboxaldehyde, 2-(4-isothiocyanatophenyl)-
CAS Number:
76349-67-2
Molecular Formula:
C8H7N3OS
Molecular Weight:
193.2257
IUPAC Name:
N-(4-isothiocyanatoanilino)formamide
InChI:
InChI=1S/C8H7N3OS/c12-5-10-11-8-3-1-7(2-4-8)9-6-13/h1-5,11H,(H,10,12)
InChI Key:
DEQKIOFOWCFQPC-UHFFFAOYSA-N
SMILES:
O=CNNc1ccc(cc1)N=C=S
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.224g/mol
Monoisotopic Mass:
193.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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