AG01BTN0

Name: 1-(Difluoromethyl)-4-isocyanatobenzene
Brand: Angene Chemical
SKU: AG01BTN0

76729-40-3 | 1-(Difluoromethyl)-4-isocyanatobenzene

AG01BTN0

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CAS Number	76729-40-3
Catalog Number	AG01BTN0(AGN-PC-02MCBY)
Chemical Name	1-(Difluoromethyl)-4-isocyanatobenzene
IUPAC Name	1-(difluoromethyl)-4-isocyanatobenzene
InChI	InChI=1S/C8H5F2NO/c9-8(10)6-1-3-7(4-2-6)11-5-12/h1-4,8H
InChI Key	DKWICSHYDXWLBK-UHFFFAOYSA-N
MDL Number	MFCD24450535
Molecular Formula	C8H5F2NO
Molecular Weight	169.1282
SMILES	FC(C1=CC=C(N=C=O)C=C1)F
Synonyms	1-(difluoromethyl)-4-isocyanatobenzene, 76729-40-3, SCHEMBL9184117, 4-Difluoromethylphenyl isocyanate, MFCD24450535, ZINC59071436, Benzene, 1-(difluoromethyl)-4-isocyanato-,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.034g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.131g/mol
Monoisotopic Mass	169.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited