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Benzoic acid, 4-(4-chloro-7H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester

Benzoic acid, 4-(4-chloro-7H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester structure

CAS No:
1011717-00-2
Formula:
C14H10ClN3O2
Chemical Name:
Benzoic acid, 4-(4-chloro-7H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester
Synonyms:
Methyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate;SCHEMBL4901729;DTXSID30732867;ZINC91301738;DB-112812

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Benzoic acid, 4-(4-chloro-7H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester Basic Attributes

Molecular Weight：

287.7011

Exact Mass：

287.04600

DSSTox ID：

DTXSID30732867

HScode：

2933990090

Characteristics

PSA：

67.87000

XLogP3：

3.06490

Density：

1.414±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:287.70
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:287.0461543
Monoisotopic Mass:287.0461543
Topological Polar Surface Area:67.9
Heavy Atom Count:20
Complexity:360
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoic acid, 4-(4-chloro-7H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

Benzoic acid, 4-(4-chloro-7H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester

SDS

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