Home Aminos Benzoic acid, 3-amino-4-fluoro-, 2-propenyl ester (9CI)

Benzoic acid, 3-amino-4-fluoro-, 2-propenyl ester (9CI)

CAS No.:
153774-39-1
Catalog Number:
AG00AV73
Molecular Formula:
C10H10FNO2
Molecular Weight:
195.1903
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Product Description
Catalog Number:
AG00AV73
Chemical Name:
Benzoic acid, 3-amino-4-fluoro-, 2-propenyl ester (9CI)
CAS Number:
153774-39-1
Molecular Formula:
C10H10FNO2
Molecular Weight:
195.1903
MDL Number:
MFCD20723071
IUPAC Name:
prop-2-enyl 3-amino-4-fluorobenzoate
InChI:
InChI=1S/C10H10FNO2/c1-2-5-14-10(13)7-3-4-8(11)9(12)6-7/h2-4,6H,1,5,12H2
InChI Key:
SNZWNIMUYPJNCE-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)c1ccc(c(c1)N)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.07g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.193g/mol
Monoisotopic Mass:
195.07g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties