AG00IWDC

Name: 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde
Brand: Angene Chemical
SKU: AG00IWDC

697307-02-1 | 4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde

AG00IWDC

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CAS Number	697307-02-1
Catalog Number	AG00IWDC(AGN-PC-0K5UMS)
Chemical Name	4-(Isopropylsulfanyl)-3-nitrobenzenecarbaldehyde
IUPAC Name	3-nitro-4-propan-2-ylsulfanylbenzaldehyde
InChI	InChI=1S/C10H11NO3S/c1-7(2)15-10-4-3-8(6-12)5-9(10)11(13)14/h3-7H,1-2H3
InChI Key	DKXNQJJZCJUHOL-UHFFFAOYSA-N
MDL Number	MFCD04124467
Molecular Formula	C10H11NO3S
Molecular Weight	225.2642
SMILES	S(C1(=C([N+](=O)[O-])C=C(C=O)C=C1))C(C)C
Synonyms	697307-02-1, 4-(isopropylsulfanyl)-3-nitrobenzenecarbaldehyde, 3-nitro-4-(propan-2-ylsulfanyl)benzaldehyde, AC1LS4T3, SCHEMBL5913415, KS-00001SLY, ZINC1395702, AKOS005079708, MCULE-8271519038, 12D-052S, 3-nitro-4-propan-2-ylsulfanylbenzaldehyde, SR-01000308005, SR-01000308005-1, ZINC01395702, CID1482353,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.046g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.262g/mol
Monoisotopic Mass	225.046g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	88.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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