Home Aldehydes 868755-54-8
868755-54-8,MFCD08271896
Catalog No.:AA003HWD
868755-54-8 | 3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
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100mg
97%
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$30.00   $21.00
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5g
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Technical Information
Catalog Number:
AA003HWD
Chemical Name:
3-(1H-1,2,4-Triazol-1-yl)benzaldehyde
CAS Number:
868755-54-8
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
MDL Number:
MFCD08271896
IUPAC Name:
3-(1,2,4-triazol-1-yl)benzaldehyde
InChI:
InChI=1S/C9H7N3O/c13-5-8-2-1-3-9(4-8)12-7-10-6-11-12/h1-7H
InChI Key:
YGKBHMJLDGOYPI-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)n1cncn1
Properties
Computed Properties
 
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
3-(1H-1,2,4-Triazol-1-yl)benzaldehyde 
868755-54-8 
KS-00000AY0 
KM2450 
MFCD08271896 
SBB088761 
ZINC12370241 
AKOS013153813 
3-[1,2,4]triazol-1-yl-benzaldehyde 
PS-6182 
RP02804 
TRA0001871 
3-(1,2,4-triazol-1-yl)benzaldehyde 
VZ25915 
AC-22883 
AJ-61771 
CJ-13972 
SY003048 
DB-021561 
RT-008278 
FT-0644969 
Y4397 
3-(1h-1,2,4-triazol-1-yl)benzaldehyde 97% 
Benzaldehyde,3-(1H-1,2,4-triazol-1-yl)- 
MFCD08271896 (97+%) 
A841865 
J-510423 
3-(1H-1,2,4-triazol-1-yl)benzaldehyde, AldrichCPR 
I01-10006 
C9H7N3O 
2-Fluoro-4-methylsulfonylphenol 
672323-13-6 
PubChem22932 
SCHEMBL2039106 
CTK5F7345 
DTXSID70594502 
YGKBHMJLDGOYPI-UHFFFAOYSA-N 
3-(1,2,4-triazolyl)benzaldehyde 
Literature
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